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

Systemtic Name: hexadecyl 2,5,7-trinitro-9-oxidanylidene-fluorene-4-carboxylate Openeye Name: hexadecyl 2,5,7-trinitro-9-oxo-fluorene-4-carboxylate CAS Name: 2,5,7-trinitro-9-oxo-4-fluorenecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate Traditional Name: 9-keto-2,5,7-trinitro-fluorene-4-carboxylic acid cetyl ester Formula: C30H37N3O9 MolecularWeight: 583.62948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N3O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-42-30(35)25-19-21(31(36)37)17-23-27(25)28-24(29(23)34)18-22(32(38)39)20-26(28)33(40)41/h17-20H,2-16H2,1H3