Ricardo Ruíz-Coronado

The ACS style guide: A manual for authors and editors, 1st ed.;
Dodd, J. S., Brogan, M. C., Eds.; ACS: New York, 1986
Characters marked with a right superscript "*" shall be italicized.
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Chemical names
are composed with
   (i) positional prefixes,
  (ii) number locants,
 (iii) configurational descriptors, positional descriptors, stereoisomeric descriptors, polymeric descriptors,
  (iv) element symbol locants,
   (v) Roman numerals,
  (vi) Greek multipliers and prefixes, Greek letter locants, small capital letter locants, Latin multipliers and prefixes,
 (vii) Arabic numbers, and
(viii) syllabic portions.
"Optical rotational signs are indicated by plus and minus signs in parenthesis and hyphenated to the chemical name."
"Never space around bond lines."
For heavy-isotope-substituted species the Boughton system is preferred.
E.g., ethane-1-d*-2-t*
C.f., acetamide-1-13C*-15N*
Geometric isomers' descriptors and polymers' descriptors are italicized.
E.g., cis*-, trans*-, sym*-, asym*-, -co*-, -alt*-, -b*-, -g*-, -r*-, -m*-
C.f., cis–trans [en dash]
Rules:
counterion				but		co-ion
catlike					but 	doll-like
fivefold				but		25-fold
nonpolar				but 	non-Newtonian
Gaussian				but		faradaic
Northeast				but		northeastern
Midwest					but		midwestern
second-order reaction	and		pseudo-first-order reaction
chalcogen bonding		and		non-hydrogen bonding
petroleum jelly			not		Vaseline
borosilicate glass		not		Pyrex
mineral oil				not		Nujol
spouse					not		wife
Ep						 or		PE
55 g/Lewis				 or 	55 g L-1
						not		55 grams/liter
						but		55 grams per liter						
3.5 h					not		3½ h
10/3 in					not		3.3 h
i.e.					not		i. e.
e.g.					not		e. g.
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Unit modifiers
are either
   (i) noun-adjective,
  (ii) adjective-noun,
 (iii) adverb-adjective,
  (iv) noun-noun, or
   (v) number-unit noun
compound words.
E.g., 0.5- × 10-cm tube
C.f., 5 × 5 cm2 tube
E.g., copper-to-iron ratio
C.f., sodium chloride to iron ratio
E.g., size-dependent
C.f., nominal mass
Exception: well-estabilshed compound words
stainless steel flask, molecular weight determination, data acquisition system
Exception: adjective foreign phrases
in vivo reaction, ad hoc committee, in situ evaluation
Exception: chemical names
amino acid level, sodium hydroxide solution, barium sulfate precipitate
Exception: proper names
Lewis acid catalyst, Fourier transform technique, Schiff base measurement
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Names
"Trade nmaes are spelled with an initial capital letter. The trademark symbol is omitted." (Disagree.)
Generic names are preferred to trade names.
Units of measure are spelled out (in-text).
Name magnitudes are capitalized in the first letter.
E.g., Coulombic potential
C.f., faradaic current
Exception: first-time-appearing in-text trade names
Agilent, Thermo Scientific, Varian
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Numbers and Numerals
"Use consecutive numerals for figures, tables, schemes, structures, and references. Use Arabic numbers for references, figures,
"and structures. Use Roman numbers for tables and schemes. No publication allows skipping numbers or numberig out of sequence."
"Try not to start a sentence with a numeral. Recast the sentence if possible, but if not, spell out the number and the unit of
"measure if there is one."
"Spell out ordinals 'first' through 'ninth'; use numerals for '10th' and greater."
Spell out a number from one to nine only.
E.g., three flasks
C.f., 30 flasks
E.g., figure
C.f., Figure 1
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Abbreviations and Acronyms
"In an abbreviation, you pronounce the individual letters; in an acronym, the letters form a pronounceable word."
"Place abbreviations in parentheses following the spelled-out forms the first time they appear in the text. If they are used in
"the abstract, define them in the abstract and again in the text."
Parenthesize "e.g.," and "i.e.," in text.
Exception: figure caption
Exception: table heading
Otherwise, spell out "for example," and "that is," after a semicolon.
Do not abbreviate neither (a) day, week, month, year; (b) day of the week; nor (c) state not used with a city.
E.g., c's
C.f., HOMOs
E.g., an nmr spectrometer
C.f., a nuclear magnetic resonance spectrometer
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Uses
"Chemical reactions that include structures with rings should be treated as illustrations [i.e., schemes]."
"Use all cpaital letters for commands."
"Avoid slang or jargon."
"Use 'a' before and aspirated 'h'; use 'an' before the vowel sound of a*, e*, i*, o*, and u*."
"Use the simple past tense for actions that ocurred in the past."
"Use 'respectively' to compare to sequences in the same sentence." (Disagree.)
"Do not use a solidus to mean 'and' and 'or'." (Agree.)
"Use split infinitives to avoid awkwardness or ambiguity." (Agree.)
"scripts should not be one above the other." (Disagree.)
Do not use a lower-case letter o* as substitute for a cipher zero 0. (Agree.)
Use American spelling. (Disagree.)
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Notes
"'His or her', if not overused, is not terribly unpleasant."
Write in a right-reading fashion: "from left to right across the 8½-inch width of the paper [U.S. Letter]"
"Set all material flush left" (Agree.)
Do not use l's for 1's or o's for 0's. (Agree.)
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References
"Collate all references at the end of the manuscript in numerical order if cited by number and in alphabetical order if cited by
"author."
"one-word titles are not abbreviated (e.g., Biochemistry*, Nature*, Science)." [Tetrahedron, Langmuir, etc.]
"In references to journals that begin every issue with page 1, include the issue number in parentheses following the volume number."
(Disagree.)
"In plublishers' names, delete words such as 'Company', 'Inc.', 'Publisher', and 'Press'." (Agree.)
Theses, patents, government publications, reports, abstracts for meeting papers, and materials presented orally are all quotable.
Exception: unpublished materials
"Strictly speaking, material submitted for publication but not yet accepted and personal communications are not part of the
"literature and therefore do not belong in lists labeled 'Literature Cited', but may be included in footnotes that also include
"other notes."
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Figures and Tables
"Consider whether a table is necessary. You can write items on a non-numbered list." (Agree.)
"The [figure] caption should be understandable without reference to the text and should not include new material that is not in
"the text." (Agree.)
"Illustrations are... costly for authors to prepare and also for publishers to reproduce." (Agree.)
"Use similar wording for related figures." (Agree.)
"Generally, put the keys to symbols in the caption, not in the artwork, where they tend to give a cluttered appereance." (Agree.)
"Submit the figure captions separately from the artwork, typed double space, all on a page together." (Disagree.)
"Tables should supplement, not duplicate, text and figures.... Examples of material that is best handled as narrative in text
"are IR absorptions and NMR chemical shifts." (Agree.)
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Copyrights
"Copyright is the exclusive legal right to reproduce, publish and sell the matter and form of a literary, musical, or artistic
"work (Webster*'s Third New International Dictionary, Merriam Company, Publishers)."
"Copyright ownership should not be confused with any agreement concerning patent rights."
"The author is the original owner of copyright."
Exception: work made for hire
Exception: copyright transfer
"Copyright is divisible,"
"A copyright owner can also grant nonexclusive rights."
"Copyright transfers must be made in writing by the copyright owner."
"In general, for authored works, copyright lasts for the life of the author plus 50 years."
"if a work was published before 1978 without a copyright notice, that work is in the public domain. Works also fall into the
"public domain when their copyright expire." [U.S.]
"'fair use' of copyrighted material is not an infringement of copyright." [Use for criticism, comment, news reporting, teaching,
scholarship or research.]
Head for the U.S. Copyright Office.
Check on Circular R1, "Copyright Basics."
Note both 1976 U.S. Copyright Law and Copyright Act.
"No fictitious name should be listed as an author or co-author." (Disagree.)
"The author who submits a manuscript for publication accepts the responsibility of having included as co-authors all persons
"appropriate and non inappropriate."
Reviewer's duties: "A reviewer should treat a manuscript sent for review as a confidential document." "A reviewer should be alert
"to failure of authors to cite relevant work by other scientists,"

SMILES
Simplified Molecular Input Line Entry System
- a chemical notation
- has five basic syntax rules
- chemically oriented
- structures are hydrogen-supressed
Rule One: Atoms and Bonds
C		non-aromatic carbon
c		aromatic carbon
in general, lower case for aromatic and upper for non-; whatever the atom
-		single bond
=		double bond
#		triple bond
*		aromatic bond
.		no bond
single bond is default, no bond means disconnected
Rule Two: Simple Chains
CC		C2H6	ethane
C=C		C2H4	ethene
CBr		CH3Br	bromomethane
C#N		CHN		methanenitrile
Na.Cl	NaCl	sodium chloride
[Sc]/scandium, not Sc
Rule Three: Branches
CC(O)C 			propan-2-ol
CC(=O)C 		propan-2-one
CC(CC)C 		2-methylbutane
CC(C)CC(=O) 	3-methylbutanal
CC(C)(C)CC 		2,2-dimethylbutane
recall bond symbol always after left parenthesis
Rule Four: Rings
C=1CCCCC1 		cyclohexene
c1ccccc1 		benzene
C1OC1CC 		ethyloxirane
c1cc2ccccc2cc1 	naphthalene
numeric identifiers
Rule Five: Charged Atoms
CCC(=O)[O-] 			propanoate ion
c1cccc[n+]1CC(=O)[O-] 	2-pyridin-1-ium-1-ylacetate
charge numbers enclosed by square brackets, after the proper atom