2-[(E)-12-acetyloxyoctadec-9-enoyl]oxybenzoic acid

Systemtic Name: 2-[(E)-12-acetyloxyoctadec-9-enoyl]oxybenzoic acid Openeye Name: 2-[(E)-12-acetoxyoctadec-9-enoyl]oxybenzoic acid CAS Name: 2-[(E)-12-acetyloxy-1-oxooctadec-9-enoxy]benzoic acid IUPAC Name: 2-[(E)-12-acetyloxyoctadec-9-enoyl]oxybenzoic acid Traditional Name: 2-[(E)-12-acetoxyoctadec-9-enoyl]oxybenzoic acid Formula: C27H40O6 MolecularWeight: 460.6029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC1=CC=CC=C1C(=O)O)OC(=O)C

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OC1=CC=CC=C1C(=O)O)OC(=O)C

InChI

InChI=1S/C27H40O6/c1-3-4-5-12-17-23(32-22(2)28)18-13-10-8-6-7-9-11-14-21-26(29)33-25-20-16-15-19-24(25)27(30)31/h10,13,15-16,19-20,23H,3-9,11-12,14,17-18,21H2,1-2H3,(H,30,31)/b13-10+