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2-(3,4-dioctyl-1-sulfo-naphthalen-2-yl)oxyethanoic acid

2-(3,4-dioctyl-1-sulfo-naphthalen-2-yl)oxyethanoic acid

Systemtic Name:2-(3,4-dioctyl-1-sulfo-naphthalen-2-yl)oxyethanoic acid
Openeye Name:2-[(3,4-dioctyl-1-sulfo-2-naphthyl)oxy]acetic acid
CAS Name:2-[(3,4-dioctyl-1-sulfo-2-naphthalenyl)oxy]acetic acid
IUPAC Name:2-(3,4-dioctyl-1-sulfonaphthalen-2-yl)oxyacetic acid
Traditional Name:2-(3,4-dioctyl-1-sulfo-2-naphthoxy)acetic acid
Formula: C28H42O6S
MolecularWeight: 506.69448
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)OCC(=O)O)CCCCCCCC


Isomeric SMILES

CCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)OCC(=O)O)CCCCCCCC


InChI

InChI=1S/C28H42O6S/c1-3-5-7-9-11-13-17-22-23-18-15-16-20-25(23)28(35(31,32)33)27(34-21-26(29)30)24(22)19-14-12-10-8-6-4-2/h15-16,18,20H,3-14,17,19,21H2,1-2H3,(H,29,30)(H,31,32,33)


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