[4b-ethyl-7-oxidanyl-6,10-bis(oxidanylidene)-7-phenyl-5,8,8a,9-tetrahydrophenanthren-2-yl] 4-nitrobenzoate

Systemtic Name: [4b-ethyl-7-oxidanyl-6,10-bis(oxidanylidene)-7-phenyl-5,8,8a,9-tetrahydrophenanthren-2-yl] 4-nitrobenzoate Openeye Name: (4b-ethyl-7-hydroxy-6,10-dioxo-7-phenyl-5,8,8a,9-tetrahydrophenanthren-2-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4b-ethyl-7-hydroxy-6,10-dioxo-7-phenyl-5,8,8a,9-tetrahydrophenanthren-2-yl) ester IUPAC Name: (4b-ethyl-7-hydroxy-6,10-dioxo-7-phenyl-5,8,8a,9-tetrahydrophenanthren-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4b-ethyl-7-hydroxy-6,10-diketo-7-phenyl-5,8,8a,9-tetrahydrophenanthren-2-yl) ester Formula: C29H25NO7 MolecularWeight: 499.5113

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(=O)C(CC1CC(=O)C3=C2C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])(C5=CC=CC=C5)O

Isomeric SMILES

CCC12CC(=O)C(CC1CC(=O)C3=C2C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])(C5=CC=CC=C5)O

InChI

InChI=1S/C29H25NO7/c1-2-28-17-26(32)29(34,19-6-4-3-5-7-19)16-20(28)14-25(31)23-15-22(12-13-24(23)28)37-27(33)18-8-10-21(11-9-18)30(35)36/h3-13,15,20,34H,2,14,16-17H2,1H3