ethyl (1S,6S)-4,6-bis(3,4-dimethoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-4,6-bis(3,4-dimethoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-4,6-bis(3,4-dimethoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4,6-bis(3,4-dimethoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4,6-bis(3,4-dimethoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4,6-bis(3,4-dimethoxyphenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C25H28O7 MolecularWeight: 440.48562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28O7/c1-6-32-25(27)24-18(16-8-10-21(29-3)23(14-16)31-5)11-17(12-19(24)26)15-7-9-20(28-2)22(13-15)30-4/h7-10,12-14,18,24H,6,11H2,1-5H3/t18-,24+/m1/s1