[(E)-13-oxidanylidenetriacont-21-en-12-yl] (E)-octadec-9-enoate

Systemtic Name: [(E)-13-oxidanylidenetriacont-21-en-12-yl] (E)-octadec-9-enoate Openeye Name: [(E)-2-oxo-1-undecyl-nonadec-10-enyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [(E)-13-oxotriacont-21-en-12-yl] ester IUPAC Name: [(E)-13-oxotriacont-21-en-12-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(E)-2-keto-1-undecyl-nonadec-10-enyl] ester Formula: C48H90O3 MolecularWeight: 715.2264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(C(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C48H90O3/c1-4-7-10-13-16-19-21-23-25-27-29-32-34-37-40-43-46(49)47(44-41-38-35-31-18-15-12-9-6-3)51-48(50)45-42-39-36-33-30-28-26-24-22-20-17-14-11-8-5-2/h23-26,47H,4-22,27-45H2,1-3H3/b25-23+,26-24+