3,5-bis[(4-chlorophenyl)carbonyl]-2,6-diphenyl-oxane-4,4-dicarbonitrile

Systemtic Name: 3,5-bis[(4-chlorophenyl)carbonyl]-2,6-diphenyl-oxane-4,4-dicarbonitrile Openeye Name: 3,5-bis(4-chlorobenzoyl)-2,6-diphenyl-tetrahydropyran-4,4-dicarbonitrile CAS Name: 3,5-bis[(4-chlorophenyl)-oxomethyl]-2,6-diphenyloxane-4,4-dicarbonitrile IUPAC Name: 3,5-bis(4-chlorobenzoyl)-2,6-diphenyloxane-4,4-dicarbonitrile Traditional Name: 3,5-bis(4-chlorobenzoyl)-2,6-diphenyl-tetrahydropyran-4,4-dicarbonitrile Formula: C33H22Cl2N2O3 MolecularWeight: 565.44538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(C(C(O2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl)(C#N)C#N)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(C(C(O2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl)(C#N)C#N)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C33H22Cl2N2O3/c34-25-15-11-21(12-16-25)29(38)27-31(23-7-3-1-4-8-23)40-32(24-9-5-2-6-10-24)28(33(27,19-36)20-37)30(39)22-13-17-26(35)18-14-22/h1-18,27-28,31-32H