ditert-butyl (6E)-4-methyl-6-[(4-methylphenyl)sulfonylhydrazinylidene]-2-(3-nitrophenyl)-4-oxidanyl-cyclohexane-1,3-dicarboxylate

Systemtic Name: ditert-butyl (6E)-4-methyl-6-[(4-methylphenyl)sulfonylhydrazinylidene]-2-(3-nitrophenyl)-4-oxidanyl-cyclohexane-1,3-dicarboxylate Openeye Name: ditert-butyl (6E)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-(p-tolylsulfonylhydrazono)cyclohexane-1,3-dicarboxylate CAS Name: (6E)-4-hydroxy-4-methyl-6-[(4-methylphenyl)sulfonylhydrazinylidene]-2-(3-nitrophenyl)cyclohexane-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (6E)-4-hydroxy-4-methyl-6-[(4-methylphenyl)sulfonylhydrazinylidene]-2-(3-nitrophenyl)cyclohexane-1,3-dicarboxylate Traditional Name: (6E)-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-(tosylhydrazono)cyclohexane-1,3-dicarboxylic acid ditert-butyl ester Formula: C30H39N3O9S MolecularWeight: 617.71036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC(C(C(C2C(=O)OC(C)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)(C)C)(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CC(C(C(C2C(=O)OC(C)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)(C)C)(C)O

InChI

InChI=1S/C30H39N3O9S/c1-18-12-14-21(15-13-18)43(39,40)32-31-22-17-30(8,36)25(27(35)42-29(5,6)7)23(24(22)26(34)41-28(2,3)4)19-10-9-11-20(16-19)33(37)38/h9-16,23-25,32,36H,17H2,1-8H3/b31-22+