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

Systemtic Name: 4-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]benzoic acid Openeye Name: 4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]benzoic acid CAS Name: 4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]benzoic acid IUPAC Name: 4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]benzoic acid Traditional Name: 4-[bis(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]benzoic acid Formula: C24H28O6 MolecularWeight: 412.47552

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)O)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)O)C3=C(CC(CC3=O)(C)C)O)O)C

InChI

InChI=1S/C24H28O6/c1-23(2)9-15(25)20(16(26)10-23)19(13-5-7-14(8-6-13)22(29)30)21-17(27)11-24(3,4)12-18(21)28/h5-8,19,25,27H,9-12H2,1-4H3,(H,29,30)