O6-[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] O1-methyl hexanedioate

Systemtic Name: O6-[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] O1-methyl hexanedioate Openeye Name: O6-[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] O1-methyl hexanedioate CAS Name: hexanedioic acid O6-[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester O1-methyl ester IUPAC Name: 6-O-[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 1-O-methyl hexanedioate Traditional Name: adipic acid O6-[2-(2,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester O1-methyl ester Formula: C23H30O5 MolecularWeight: 386.4813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)OC(=O)CCCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)OC(=O)CCCCC(=O)OC)C

InChI

InChI=1S/C23H30O5/c1-15-10-11-17(16(2)12-15)22-18(24)13-23(3,4)14-19(22)28-21(26)9-7-6-8-20(25)27-5/h10-12H,6-9,13-14H2,1-5H3