[(E)-1,2-bis(oxidanyl)henicos-4-en-3-yl] (E)-octadec-6-enoate

Systemtic Name: [(E)-1,2-bis(oxidanyl)henicos-4-en-3-yl] (E)-octadec-6-enoate Openeye Name: [(E)-1-(1,2-dihydroxyethyl)nonadec-2-enyl] (E)-octadec-6-enoate CAS Name: (E)-6-octadecenoic acid [(E)-1,2-dihydroxyheneicos-4-en-3-yl] ester IUPAC Name: [(E)-1,2-dihydroxyhenicos-4-en-3-yl] (E)-octadec-6-enoate Traditional Name: (E)-octadec-6-enoic acid [(E)-1-(1,2-dihydroxyethyl)nonadec-2-enyl] ester Formula: C39H74O4 MolecularWeight: 607.00246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CC(C(CO)O)OC(=O)CCCCC=CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C(C(CO)O)OC(=O)CCCC/C=C/CCCCCCCCCCC

InChI

InChI=1S/C39H74O4/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38(37(41)36-40)43-39(42)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h25,27,32,34,37-38,40-41H,3-24,26,28-31,33,35-36H2,1-2H3/b27-25+,34-32+