2,4,6-tris(4-chlorophenyl)-3-(4-chlorophenyl)carbonyl-4-oxidanyl-cyclohexane-1,1-dicarbonitrile

Systemtic Name: 2,4,6-tris(4-chlorophenyl)-3-(4-chlorophenyl)carbonyl-4-oxidanyl-cyclohexane-1,1-dicarbonitrile Openeye Name: 3-(4-chlorobenzoyl)-2,4,6-tris(4-chlorophenyl)-4-hydroxy-cyclohexane-1,1-dicarbonitrile CAS Name: 2,4,6-tris(4-chlorophenyl)-3-[(4-chlorophenyl)-oxomethyl]-4-hydroxycyclohexane-1,1-dicarbonitrile IUPAC Name: 3-(4-chlorobenzoyl)-2,4,6-tris(4-chlorophenyl)-4-hydroxycyclohexane-1,1-dicarbonitrile Traditional Name: 3-(4-chlorobenzoyl)-2,4,6-tris(4-chlorophenyl)-4-hydroxy-cyclohexane-1,1-dicarbonitrile Formula: C33H22Cl4N2O2 MolecularWeight: 620.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)(C#N)C#N)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C(C(C(C(C1(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)(C#N)C#N)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C33H22Cl4N2O2/c34-24-9-1-20(2-10-24)28-17-33(41,23-7-15-27(37)16-8-23)30(31(40)22-5-13-26(36)14-6-22)29(32(28,18-38)19-39)21-3-11-25(35)12-4-21/h1-16,28-30,41H,17H2