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

Systemtic Name: ethyl (1S,6S)-4,6-bis(4-chlorophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-4,6-bis(4-chlorophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4,6-bis(4-chlorophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4,6-bis(4-chlorophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4,6-bis(4-chlorophenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H18Cl2O3 MolecularWeight: 389.27182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2O3/c1-2-26-21(25)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)24)13-3-7-16(22)8-4-13/h3-10,12,18,20H,2,11H2,1H3/t18-,20+/m1/s1