2,6-bis(3-nitrophenyl)-4-oxidanyl-4-phenyl-3-(phenylcarbonyl)cyclohexane-1,1-dicarbonitrile

Systemtic Name: 2,6-bis(3-nitrophenyl)-4-oxidanyl-4-phenyl-3-(phenylcarbonyl)cyclohexane-1,1-dicarbonitrile Openeye Name: 3-benzoyl-4-hydroxy-2,6-bis(3-nitrophenyl)-4-phenyl-cyclohexane-1,1-dicarbonitrile CAS Name: 3-benzoyl-4-hydroxy-2,6-bis(3-nitrophenyl)-4-phenylcyclohexane-1,1-dicarbonitrile IUPAC Name: 3-benzoyl-4-hydroxy-2,6-bis(3-nitrophenyl)-4-phenylcyclohexane-1,1-dicarbonitrile Traditional Name: 3-benzoyl-4-hydroxy-2,6-bis(3-nitrophenyl)-4-phenyl-cyclohexane-1,1-dicarbonitrile Formula: C33H24N4O6 MolecularWeight: 572.56686

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])(C#N)C#N)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C(C(C(C(C1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])(C#N)C#N)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H24N4O6/c34-20-32(21-35)28(23-11-7-15-26(17-23)36(40)41)19-33(39,25-13-5-2-6-14-25)30(31(38)22-9-3-1-4-10-22)29(32)24-12-8-16-27(18-24)37(42)43/h1-18,28-30,39H,19H2