sodium O1-[(E)-octadec-9-enoyl] O4-sulfo butanedioate

Systemtic Name: sodium O1-[(E)-octadec-9-enoyl] O4-sulfo butanedioate Openeye Name: sodium O1-[(E)-octadec-9-enoyl] O4-sulfo butanedioate CAS Name: sodium butanedioic acid O1-[(E)-1-oxooctadec-9-enyl] ester O4-sulfo ester IUPAC Name: sodium 1-O-[(E)-octadec-9-enoyl] 4-O-sulfo butanedioate Traditional Name: sodium succinic acid O1-[(E)-octadec-9-enoyl] ester O4-sulfo ester Formula: C22H38NaO8S+ MolecularWeight: 485.58709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCC(=O)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)CCC(=O)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C22H38O8S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)29-21(24)18-19-22(25)30-31(26,27)28;/h9-10H,2-8,11-19H2,1H3,(H,26,27,28);/q;+1/b10-9+;