butyl (9Z)-9-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-2,5,7-trinitro-fluorene-4-carboxylate

Systemtic Name: butyl (9Z)-9-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-2,5,7-trinitro-fluorene-4-carboxylate Openeye Name: butyl (9Z)-9-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: (9Z)-9-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2,5,7-trinitro-4-fluorenecarboxylic acid butyl ester IUPAC Name: butyl (9Z)-9-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2,5,7-trinitrofluorene-4-carboxylate Traditional Name: (9Z)-9-(3,5-ditert-butyl-4-hydroxy-benzylidene)-2,5,7-trinitro-fluorene-4-carboxylic acid butyl ester Formula: C33H35N3O9 MolecularWeight: 617.6457

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C4=CC(=CC(=C42)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])/C(=C/C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)/C4=CC(=CC(=C42)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C33H35N3O9/c1-8-9-10-45-31(38)24-16-19(34(39)40)14-22-21(23-15-20(35(41)42)17-27(36(43)44)29(23)28(22)24)11-18-12-25(32(2,3)4)30(37)26(13-18)33(5,6)7/h11-17,37H,8-10H2,1-7H3/b21-11-