[(E)-1,2-bis(oxidanyl)tricos-4-en-3-yl] (E)-icos-9-enoate

Systemtic Name: [(E)-1,2-bis(oxidanyl)tricos-4-en-3-yl] (E)-icos-9-enoate Openeye Name: [(E)-1-(1,2-dihydroxyethyl)henicos-2-enyl] (E)-icos-9-enoate CAS Name: (E)-9-eicosenoic acid [(E)-1,2-dihydroxytricos-4-en-3-yl] ester IUPAC Name: [(E)-1,2-dihydroxytricos-4-en-3-yl] (E)-icos-9-enoate Traditional Name: (E)-eicos-9-enoic acid [(E)-1-(1,2-dihydroxyethyl)heneicos-2-enyl] ester Formula: C43H82O4 MolecularWeight: 663.10878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC=CC(C(CO)O)OC(=O)CCCCCCCC=CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC/C=C/C(C(CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCCCC

InChI

InChI=1S/C43H82O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-42(41(45)40-44)47-43(46)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h22,25,36,38,41-42,44-45H,3-21,23-24,26-35,37,39-40H2,1-2H3/b25-22+,38-36+