[2-(2,3-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] octadecanoate

Systemtic Name: [2-(2,3-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] octadecanoate Openeye Name: [2-(2,3-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] octadecanoate CAS Name: octadecanoic acid [2-(2,3-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] octadecanoate Traditional Name: stearic acid [2-(2,3-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C34H54O3 MolecularWeight: 510.79076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(C(=CC=C2)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(C(=CC=C2)C)C

InChI

InChI=1S/C34H54O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32(36)37-31-26-34(4,5)25-30(35)33(31)29-23-21-22-27(2)28(29)3/h21-23H,6-20,24-26H2,1-5H3