[(3Z,6E)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyl-dodeca-6,10-dien-8-ynyl] (E)-icos-11-enoate

Systemtic Name: [(3Z,6E)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyl-dodeca-6,10-dien-8-ynyl] (E)-icos-11-enoate Openeye Name: [(3Z,6E)-4-acetoxy-3-(acetoxymethylene)-7,11-dimethyl-dodeca-6,10-dien-8-ynyl] (E)-icos-11-enoate CAS Name: (E)-11-eicosenoic acid [(3Z,6E)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-6,10-dien-8-ynyl] ester IUPAC Name: [(3Z,6E)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-6,10-dien-8-ynyl] (E)-icos-11-enoate Traditional Name: (E)-eicos-11-enoic acid [(3Z,6E)-4-acetoxy-3-(acetoxymethylene)-7,11-dimethyl-dodeca-6,10-dien-8-ynyl] ester Formula: C39H62O6 MolecularWeight: 626.90598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCC(=O)OCCC(=COC(=O)C)C(CC=C(C)C#CC=C(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCC(=O)OCC/C(=C/OC(=O)C)/C(C/C=C(\C)/C#CC=C(C)C)OC(=O)C

InChI

InChI=1S/C39H62O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-39(42)43-31-30-37(32-44-35(5)40)38(45-36(6)41)29-28-34(4)26-24-25-33(2)3/h14-15,25,28,32,38H,7-13,16-23,27,29-31H2,1-6H3/b15-14+,34-28+,37-32-