[(E)-4-[(E)-docos-13-enoyl]oxybut-2-enyl] benzoate

Systemtic Name: [(E)-4-[(E)-docos-13-enoyl]oxybut-2-enyl] benzoate Openeye Name: [(E)-4-[(E)-docos-13-enoyl]oxybut-2-enyl] benzoate CAS Name: benzoic acid [(E)-4-[(E)-1-oxodocos-13-enoxy]but-2-enyl] ester IUPAC Name: [(E)-4-[(E)-docos-13-enoyl]oxybut-2-enyl] benzoate Traditional Name: benzoic acid [(E)-4-[(E)-docos-13-enoyl]oxybut-2-enyl] ester Formula: C33H52O4 MolecularWeight: 512.76358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC=CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OC/C=C/COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C33H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-32(34)36-29-24-25-30-37-33(35)31-26-21-20-22-27-31/h9-10,20-22,24-27H,2-8,11-19,23,28-30H2,1H3/b10-9+,25-24+