[4-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-2-ethoxy-phenyl] 3-methoxybenzoate

Systemtic Name: [4-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-2-ethoxy-phenyl] 3-methoxybenzoate Openeye Name: [4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-2-ethoxy-phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-2-ethoxyphenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[bis(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-2-ethoxy-phenyl] ester Formula: C33H38O8 MolecularWeight: 562.65002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(CC(CC2=O)(C)C)O)C3=C(CC(CC3=O)(C)C)O)OC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(CC(CC2=O)(C)C)O)C3=C(CC(CC3=O)(C)C)O)OC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C33H38O8/c1-7-40-27-14-19(11-12-26(27)41-31(38)20-9-8-10-21(13-20)39-6)28(29-22(34)15-32(2,3)16-23(29)35)30-24(36)17-33(4,5)18-25(30)37/h8-14,28,34,36H,7,15-18H2,1-6H3