2-(2,3-dioctyl-6-sulfo-phenoxy)ethanoic acid

Systemtic Name: 2-(2,3-dioctyl-6-sulfo-phenoxy)ethanoic acid Openeye Name: 2-(2,3-dioctyl-6-sulfo-phenoxy)acetic acid CAS Name: 2-(2,3-dioctyl-6-sulfophenoxy)acetic acid IUPAC Name: 2-(2,3-dioctyl-6-sulfophenoxy)acetic acid Traditional Name: 2-(2,3-dioctyl-6-sulfo-phenoxy)acetic acid Formula: C24H40O6S MolecularWeight: 456.6358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)OCC(=O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)OCC(=O)O)CCCCCCCC

InChI

InChI=1S/C24H40O6S/c1-3-5-7-9-11-13-15-20-17-18-22(31(27,28)29)24(30-19-23(25)26)21(20)16-14-12-10-8-6-4-2/h17-18H,3-16,19H2,1-2H3,(H,25,26)(H,27,28,29)