[(E,2R,3R)-1,2-bis(oxidanyl)octadec-4-en-3-yl] benzoate

Systemtic Name: [(E,2R,3R)-1,2-bis(oxidanyl)octadec-4-en-3-yl] benzoate Openeye Name: [(E,1R)-1-[(1R)-1,2-dihydroxyethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E,2R,3R)-1,2-dihydroxyoctadec-4-en-3-yl] ester IUPAC Name: [(E,2R,3R)-1,2-dihydroxyoctadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1R)-1-[(1R)-1,2-dihydroxyethyl]hexadec-2-enyl] ester Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@@H](CO)O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(23(27)21-26)29-25(28)22-18-15-14-16-19-22/h14-20,23-24,26-27H,2-13,21H2,1H3/b20-17+/t23-,24-/m1/s1