3-(2-hexadecoxy-5-sulfo-phenyl)propanoic acid

Systemtic Name: 3-(2-hexadecoxy-5-sulfo-phenyl)propanoic acid Openeye Name: 3-(2-hexadecoxy-5-sulfo-phenyl)propanoic acid CAS Name: 3-(2-hexadecoxy-5-sulfophenyl)propanoic acid IUPAC Name: 3-(2-hexadecoxy-5-sulfophenyl)propanoic acid Traditional Name: 3-(2-cetyloxy-5-sulfo-phenyl)propionic acid Formula: C25H42O6S MolecularWeight: 470.66238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)CCC(=O)O

InChI

InChI=1S/C25H42O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-24-18-17-23(32(28,29)30)21-22(24)16-19-25(26)27/h17-18,21H,2-16,19-20H2,1H3,(H,26,27)(H,28,29,30)