methyl 4-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]benzoate Openeye Name: methyl 4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]benzoate CAS Name: 4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]benzoate Traditional Name: 4-[bis(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]benzoic acid methyl ester Formula: C25H30O6 MolecularWeight: 426.5021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(CC(CC3=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(CC(CC3=O)(C)C)O)O)C

InChI

InChI=1S/C25H30O6/c1-24(2)10-16(26)21(17(27)11-24)20(14-6-8-15(9-7-14)23(30)31-5)22-18(28)12-25(3,4)13-19(22)29/h6-9,20,26,28H,10-13H2,1-5H3