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2-(2-nonylphenoxy)-2-sulfo-butanedioic acid

2-(2-nonylphenoxy)-2-sulfo-butanedioic acid

Systemtic Name:2-(2-nonylphenoxy)-2-sulfo-butanedioic acid
Openeye Name:2-(2-nonylphenoxy)-2-sulfo-butanedioic acid
CAS Name:2-(2-nonylphenoxy)-2-sulfobutanedioic acid
IUPAC Name:2-(2-nonylphenoxy)-2-sulfobutanedioic acid
Traditional Name:2-(2-nonylphenoxy)-2-sulfo-succinic acid
Formula: C19H28O8S
MolecularWeight: 416.48582
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(CC(=O)O)(C(=O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(CC(=O)O)(C(=O)O)S(=O)(=O)O


InChI

InChI=1S/C19H28O8S/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)27-19(18(22)23,14-17(20)21)28(24,25)26/h9-10,12-13H,2-8,11,14H2,1H3,(H,20,21)(H,22,23)(H,24,25,26)


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