2-[[2,6-bis(oxidanylidene)-4-phenyl-cyclohexyl]-(3-nitrophenyl)methyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[2,6-bis(oxidanylidene)-4-phenyl-cyclohexyl]-(3-nitrophenyl)methyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[(2,6-dioxo-4-phenyl-cyclohexyl)-(3-nitrophenyl)methyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[(2,6-dioxo-4-phenylcyclohexyl)-(3-nitrophenyl)methyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[(2,6-dioxo-4-phenylcyclohexyl)-(3-nitrophenyl)methyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[(2,6-diketo-4-phenyl-cyclohexyl)-(3-nitrophenyl)methyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C31H27NO6 MolecularWeight: 509.54918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(C2C(=O)CC(CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(C2C(=O)CC(CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C31H27NO6/c33-25-15-22(19-8-3-1-4-9-19)16-26(34)30(25)29(21-12-7-13-24(14-21)32(37)38)31-27(35)17-23(18-28(31)36)20-10-5-2-6-11-20/h1-14,22-23,29-31H,15-18H2