bis(phenylmethyl) 4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: dibenzyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: 4-hydroxy-6-keto-4-methyl-2-(3-nitrophenyl)cyclohexane-1,3-dicarboxylic acid dibenzyl ester Formula: C29H27NO8 MolecularWeight: 517.52658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1C(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CC1(CC(=O)C(C(C1C(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C29H27NO8/c1-29(34)16-23(31)25(27(32)37-17-19-9-4-2-5-10-19)24(21-13-8-14-22(15-21)30(35)36)26(29)28(33)38-18-20-11-6-3-7-12-20/h2-15,24-26,34H,16-18H2,1H3