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

Systemtic Name: [4-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]phenyl] benzoate Openeye Name: [4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]phenyl] benzoate CAS Name: benzoic acid [4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]phenyl] ester IUPAC Name: [4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[bis(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]phenyl] ester Formula: C30H32O6 MolecularWeight: 488.57148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)O)C

InChI

InChI=1S/C30H32O6/c1-29(2)14-21(31)26(22(32)15-29)25(27-23(33)16-30(3,4)17-24(27)34)18-10-12-20(13-11-18)36-28(35)19-8-6-5-7-9-19/h5-13,25,31,33H,14-17H2,1-4H3