[2,3-bis(oxidanyl)-4-[(E)-pent-1-enyl]icosanoyl] 2,3-bis(oxidanyl)-4-[(E)-pent-1-enyl]icosanoate

Systemtic Name: [2,3-bis(oxidanyl)-4-[(E)-pent-1-enyl]icosanoyl] 2,3-bis(oxidanyl)-4-[(E)-pent-1-enyl]icosanoate Openeye Name: [2,3-dihydroxy-4-[(E)-pent-1-enyl]icosanoyl] 2,3-dihydroxy-4-[(E)-pent-1-enyl]icosanoate CAS Name: 2,3-dihydroxy-4-[(E)-pent-1-enyl]eicosanoic acid [2,3-dihydroxy-1-oxo-4-[(E)-pent-1-enyl]eicosyl] ester IUPAC Name: [2,3-dihydroxy-4-[(E)-pent-1-enyl]icosanoyl] 2,3-dihydroxy-4-[(E)-pent-1-enyl]icosanoate Traditional Name: (E)-4-cetyl-2,3-dihydroxy-non-5-enoic acid [(E)-4-cetyl-2,3-dihydroxy-non-5-enoyl] ester Formula: C50H94O7 MolecularWeight: 807.27716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C=CCCC)C(C(C(=O)OC(=O)C(C(C(CCCCCCCCCCCCCCCC)C=CCCC)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(O)C(O)C(=O)OC(=O)C(O)C(O)C(/C=C/CCC)CCCCCCCCCCCCCCCC)/C=C/CCC

InChI

InChI=1S/C50H94O7/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-37-41-43(39-35-11-7-3)45(51)47(53)49(55)57-50(56)48(54)46(52)44(40-36-12-8-4)42-38-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h35-36,39-40,43-48,51-54H,5-34,37-38,41-42H2,1-4H3/b39-35+,40-36+