2-hexadecylsulfanyl-5-sulfo-benzoic acid

Systemtic Name: 2-hexadecylsulfanyl-5-sulfo-benzoic acid Openeye Name: 2-hexadecylsulfanyl-5-sulfo-benzoic acid CAS Name: 2-(hexadecylthio)-5-sulfobenzoic acid IUPAC Name: 2-hexadecylsulfanyl-5-sulfobenzoic acid Traditional Name: 2-(cetylthio)-5-sulfo-benzoic acid Formula: C23H38O5S2 MolecularWeight: 458.67482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C23H38O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(26,27)28)19-21(22)23(24)25/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,26,27,28)