octyl 2,5,7-trinitro-9-oxidanylidene-fluorene-4-carboxylate

Systemtic Name: octyl 2,5,7-trinitro-9-oxidanylidene-fluorene-4-carboxylate Openeye Name: octyl 2,5,7-trinitro-9-oxo-fluorene-4-carboxylate CAS Name: 2,5,7-trinitro-9-oxo-4-fluorenecarboxylic acid octyl ester IUPAC Name: octyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate Traditional Name: 9-keto-2,5,7-trinitro-fluorene-4-carboxylic acid octyl ester Formula: C22H21N3O9 MolecularWeight: 471.41684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O9/c1-2-3-4-5-6-7-8-34-22(27)17-11-13(23(28)29)9-15-19(17)20-16(21(15)26)10-14(24(30)31)12-18(20)25(32)33/h9-12H,2-8H2,1H3