2-hexadecylsulfanyl-3-sulfo-butanedioic acid

Systemtic Name: 2-hexadecylsulfanyl-3-sulfo-butanedioic acid Openeye Name: 2-hexadecylsulfanyl-3-sulfo-butanedioic acid CAS Name: 2-(hexadecylthio)-3-sulfobutanedioic acid IUPAC Name: 2-hexadecylsulfanyl-3-sulfobutanedioic acid Traditional Name: 2-(cetylthio)-3-sulfo-succinic acid Formula: C20H38O7S2 MolecularWeight: 454.64152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H38O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-17(19(21)22)18(20(23)24)29(25,26)27/h17-18H,2-16H2,1H3,(H,21,22)(H,23,24)(H,25,26,27)