[(4Z,6Z,8Z)-18-methoxy-18-oxidanylidene-10-(phenylcarbonyloxy)octadeca-4,6,8-trien-3-yl] benzoate

Systemtic Name: [(4Z,6Z,8Z)-18-methoxy-18-oxidanylidene-10-(phenylcarbonyloxy)octadeca-4,6,8-trien-3-yl] benzoate Openeye Name: [(2Z,4Z,6Z)-8-benzoyloxy-1-ethyl-16-methoxy-16-oxo-hexadeca-2,4,6-trienyl] benzoate CAS Name: benzoic acid [(4Z,6Z,8Z)-10-benzoyloxy-18-methoxy-18-oxooctadeca-4,6,8-trien-3-yl] ester IUPAC Name: [(4Z,6Z,8Z)-10-benzoyloxy-18-methoxy-18-oxooctadeca-4,6,8-trien-3-yl] benzoate Traditional Name: benzoic acid [(2Z,4Z,6Z)-8-benzoyloxy-1-ethyl-16-keto-16-methoxy-hexadeca-2,4,6-trienyl] ester Formula: C33H40O6 MolecularWeight: 532.6671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC=CC=CC(CCCCCCCC(=O)OC)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(/C=C\C=C/C=C\C(CCCCCCCC(=O)OC)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C33H40O6/c1-3-29(38-32(35)27-19-11-9-12-20-27)23-15-7-8-17-25-30(39-33(36)28-21-13-10-14-22-28)24-16-5-4-6-18-26-31(34)37-2/h7-15,17,19-23,25,29-30H,3-6,16,18,24,26H2,1-2H3/b8-7-,23-15-,25-17-