2-[(E)-octadec-1-enyl]-2-(2-sulfanylideneethyl)butanedioic acid

Systemtic Name: 2-[(E)-octadec-1-enyl]-2-(2-sulfanylideneethyl)butanedioic acid Openeye Name: 2-[(E)-octadec-1-enyl]-2-(2-thioxoethyl)butanedioic acid CAS Name: 2-[(E)-octadec-1-enyl]-2-(2-sulfanylideneethyl)butanedioic acid IUPAC Name: 2-[(E)-octadec-1-enyl]-2-(2-sulfanylideneethyl)butanedioic acid Traditional Name: 2-[(E)-octadec-1-enyl]-2-(2-thioxoethyl)succinic acid Formula: C24H42O4S MolecularWeight: 426.65288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CC(CC=S)(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C(CC=S)(CC(=O)O)C(=O)O

InChI

InChI=1S/C24H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(19-20-29,23(27)28)21-22(25)26/h17-18,20H,2-16,19,21H2,1H3,(H,25,26)(H,27,28)/b18-17+