[2-[2,5-bis(chloranyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] octadecanoate

Systemtic Name: [2-[2,5-bis(chloranyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] octadecanoate Openeye Name: [2-(2,5-dichlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] octadecanoate CAS Name: octadecanoic acid [2-(2,5-dichlorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,5-dichlorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] octadecanoate Traditional Name: stearic acid [2-(2,5-dichlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C32H48Cl2O3 MolecularWeight: 551.62772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48Cl2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(36)37-29-24-32(2,3)23-28(35)31(29)26-22-25(33)20-21-27(26)34/h20-22H,4-19,23-24H2,1-3H3