2-[(E)-octadec-1-enyl]sulfanylbutanedioic acid

Systemtic Name: 2-[(E)-octadec-1-enyl]sulfanylbutanedioic acid Openeye Name: 2-[(E)-octadec-1-enyl]sulfanylbutanedioic acid CAS Name: 2-[[(E)-octadec-1-enyl]thio]butanedioic acid IUPAC Name: 2-[(E)-octadec-1-enyl]sulfanylbutanedioic acid Traditional Name: 2-[[(E)-octadec-1-enyl]thio]succinic acid Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CSC(CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H40O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-20(22(25)26)19-21(23)24/h17-18,20H,2-16,19H2,1H3,(H,23,24)(H,25,26)/b18-17+