(4b-ethyl-7-oxidanyl-6-oxidanylidene-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl) 4-nitrobenzoate

Systemtic Name: (4b-ethyl-7-oxidanyl-6-oxidanylidene-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl) 4-nitrobenzoate Openeye Name: (4b-ethyl-7-hydroxy-6-oxo-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4b-ethyl-7-hydroxy-6-oxo-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl) ester IUPAC Name: (4b-ethyl-7-hydroxy-6-oxo-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4b-ethyl-7-hydroxy-6-keto-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl) ester Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(=O)C(CC1CCC3=C2C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])(C5=CC=CC=C5)O

Isomeric SMILES

CCC12CC(=O)C(CC1CCC3=C2C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])(C5=CC=CC=C5)O

InChI

InChI=1S/C29H27NO6/c1-2-28-18-26(31)29(33,21-6-4-3-5-7-21)17-22(28)11-8-20-16-24(14-15-25(20)28)36-27(32)19-9-12-23(13-10-19)30(34)35/h3-7,9-10,12-16,22,33H,2,8,11,17-18H2,1H3