hexadecyl 2,7-dinitro-9-oxidanylidene-fluorene-4-carboxylate

Systemtic Name: hexadecyl 2,7-dinitro-9-oxidanylidene-fluorene-4-carboxylate Openeye Name: hexadecyl 2,7-dinitro-9-oxo-fluorene-4-carboxylate CAS Name: 2,7-dinitro-9-oxo-4-fluorenecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 2,7-dinitro-9-oxofluorene-4-carboxylate Traditional Name: 9-keto-2,7-dinitro-fluorene-4-carboxylic acid cetyl ester Formula: C30H38N2O7 MolecularWeight: 538.63192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C30H38N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-39-30(34)27-21-23(32(37)38)20-26-28(27)24-17-16-22(31(35)36)19-25(24)29(26)33/h16-17,19-21H,2-15,18H2,1H3