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

Systemtic Name: ethyl 4-(4-bromophenyl)-3-(4-bromophenyl)carbonyl-2,6-bis(4-chlorophenyl)-1-cyano-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-4-(4-bromophenyl)-2,6-bis(4-chlorophenyl)-1-cyano-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-(4-bromophenyl)-3-[(4-bromophenyl)-oxomethyl]-2,6-bis(4-chlorophenyl)-1-cyano-4-hydroxy-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-4-(4-bromophenyl)-2,6-bis(4-chlorophenyl)-1-cyano-4-hydroxycyclohexane-1-carboxylate Traditional Name: 3-(4-bromobenzoyl)-4-(4-bromophenyl)-2,6-bis(4-chlorophenyl)-1-cyano-4-hydroxy-cyclohexanecarboxylic acid ethyl ester Formula: C35H27Br2Cl2NO4 MolecularWeight: 756.30718

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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)Br)(C4=CC=C(C=C4)Br)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)Br)(C4=CC=C(C=C4)Br)O)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C35H27Br2Cl2NO4/c1-2-44-33(42)34(20-40)29(21-5-15-27(38)16-6-21)19-35(43,24-9-13-26(37)14-10-24)31(30(34)22-7-17-28(39)18-8-22)32(41)23-3-11-25(36)12-4-23/h3-18,29-31,43H,2,19H2,1H3