2,3-bis(12-oxidanylidenetetradec-13-enyl)-2-sulfo-butanedioic acid

Systemtic Name: 2,3-bis(12-oxidanylidenetetradec-13-enyl)-2-sulfo-butanedioic acid Openeye Name: 2,3-bis(12-oxotetradec-13-enyl)-2-sulfo-butanedioic acid CAS Name: 2,3-bis(12-oxotetradec-13-enyl)-2-sulfobutanedioic acid IUPAC Name: 2,3-bis(12-oxotetradec-13-enyl)-2-sulfobutanedioic acid Traditional Name: 2,3-bis(12-ketotetradec-13-enyl)-2-sulfo-succinic acid Formula: C32H54O9S MolecularWeight: 614.83076

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CCCCCCCCCCCC(C(=O)O)C(CCCCCCCCCCCC(=O)C=C)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

C=CC(=O)CCCCCCCCCCCC(C(=O)O)C(CCCCCCCCCCCC(=O)C=C)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H54O9S/c1-3-27(33)23-19-15-11-7-5-9-13-17-21-25-29(30(35)36)32(31(37)38,42(39,40)41)26-22-18-14-10-6-8-12-16-20-24-28(34)4-2/h3-4,29H,1-2,5-26H2,(H,35,36)(H,37,38)(H,39,40,41)