[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] octanoate

Systemtic Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] octanoate Openeye Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] octanoate CAS Name: octanoic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester IUPAC Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] octanoate Traditional Name: caprylic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester Formula: C23H40O2 MolecularWeight: 348.5625

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C23H40O2/c1-6-7-8-9-10-17-23(24)25-19-18-22(5)16-12-15-21(4)14-11-13-20(2)3/h13,15,18H,6-12,14,16-17,19H2,1-5H3/b21-15+,22-18+