[(2E)-2,6-dimethyl-6-oxidanyl-octa-2,7-dienyl] (E)-heptadec-9-enoate

Systemtic Name: [(2E)-2,6-dimethyl-6-oxidanyl-octa-2,7-dienyl] (E)-heptadec-9-enoate Openeye Name: [(2E)-6-hydroxy-2,6-dimethyl-octa-2,7-dienyl] (E)-heptadec-9-enoate CAS Name: (E)-9-heptadecenoic acid [(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienyl] ester IUPAC Name: [(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienyl] (E)-heptadec-9-enoate Traditional Name: (E)-heptadec-9-enoic acid [(2E)-6-hydroxy-2,6-dimethyl-octa-2,7-dienyl] ester Formula: C27H48O3 MolecularWeight: 420.66822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCCCCCCC(=O)OCC(=CCCC(C)(C=C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H48O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(28)30-24-25(3)21-20-23-27(4,29)6-2/h6,12-13,21,29H,2,5,7-11,14-20,22-24H2,1,3-4H3/b13-12+,25-21+