[4,6-dimethoxy-4-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-yl] hexadecanoate

Systemtic Name: [4,6-dimethoxy-4-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-yl] hexadecanoate Openeye Name: [4,6-dimethoxy-4-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-yl] hexadecanoate CAS Name: hexadecanoic acid [4,6-dimethoxy-4-[(E)-prop-1-enyl]-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [4,6-dimethoxy-4-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-yl] hexadecanoate Traditional Name: palmitic acid [4,6-dimethoxy-4-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-yl] ester Formula: C27H46O4 MolecularWeight: 434.65174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CCC(C=C1OC)(C=CC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CCC(C=C1OC)(/C=C/C)OC

InChI

InChI=1S/C27H46O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)31-24-20-22-27(30-4,21-6-2)23-25(24)29-3/h6,20-21,23H,5,7-19,22H2,1-4H3/b21-6+