ethyl 2,4,6-tris(4-chlorophenyl)-3-(4-chlorophenyl)carbonyl-1-cyano-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 2,4,6-tris(4-chlorophenyl)-3-(4-chlorophenyl)carbonyl-1-cyano-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-2,4,6-tris(4-chlorophenyl)-1-cyano-4-hydroxy-cyclohexanecarboxylate CAS Name: 2,4,6-tris(4-chlorophenyl)-3-[(4-chlorophenyl)-oxomethyl]-1-cyano-4-hydroxy-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-2,4,6-tris(4-chlorophenyl)-1-cyano-4-hydroxycyclohexane-1-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-2,4,6-tris(4-chlorophenyl)-1-cyano-4-hydroxy-cyclohexanecarboxylic acid ethyl ester Formula: C35H27Cl4NO4 MolecularWeight: 667.40518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CC(C(C1C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)O)C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

CCOC(=O)C1(C(CC(C(C1C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)O)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C35H27Cl4NO4/c1-2-44-33(42)34(20-40)29(21-3-11-25(36)12-4-21)19-35(43,24-9-17-28(39)18-10-24)31(30(34)22-5-13-26(37)14-6-22)32(41)23-7-15-27(38)16-8-23/h3-18,29-31,43H,2,19H2,1H3