2,2-di(pentadecyl)-3-sulfo-butanedioic acid

Systemtic Name: 2,2-di(pentadecyl)-3-sulfo-butanedioic acid Openeye Name: 2,2-di(pentadecyl)-3-sulfo-butanedioic acid CAS Name: 2,2-di(pentadecyl)-3-sulfobutanedioic acid IUPAC Name: 2,2-di(pentadecyl)-3-sulfobutanedioic acid Traditional Name: 2,2-di(pentadecyl)-3-sulfo-succinic acid Formula: C34H66O7S MolecularWeight: 618.94864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C34H66O7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(33(37)38,31(32(35)36)42(39,40)41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3,(H,35,36)(H,37,38)(H,39,40,41)