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

Systemtic Name: hexyl 2,5,7-trinitro-9-oxidanylidene-fluorene-4-carboxylate Openeye Name: hexyl 2,5,7-trinitro-9-oxo-fluorene-4-carboxylate CAS Name: 2,5,7-trinitro-9-oxo-4-fluorenecarboxylic acid hexyl ester IUPAC Name: hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate Traditional Name: 9-keto-2,5,7-trinitro-fluorene-4-carboxylic acid hexyl ester Formula: C20H17N3O9 MolecularWeight: 443.36368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O9/c1-2-3-4-5-6-32-20(25)15-9-11(21(26)27)7-13-17(15)18-14(19(13)24)8-12(22(28)29)10-16(18)23(30)31/h7-10H,2-6H2,1H3