hexadecyl (9E)-9-hydroxyimino-2,7-dinitro-fluorene-4-carboxylate

Systemtic Name: hexadecyl (9E)-9-hydroxyimino-2,7-dinitro-fluorene-4-carboxylate Openeye Name: hexadecyl (9E)-9-hydroxyimino-2,7-dinitro-fluorene-4-carboxylate CAS Name: (9E)-9-hydroxyimino-2,7-dinitro-4-fluorenecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl (9E)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate Traditional Name: (9E)-9-hydroximino-2,7-dinitro-fluorene-4-carboxylic acid cetyl ester Formula: C30H39N3O7 MolecularWeight: 553.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NO)C2=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-40-30(34)27-21-23(33(38)39)20-26-28(27)24-17-16-22(32(36)37)19-25(24)29(26)31-35/h16-17,19-21,35H,2-15,18H2,1H3/b31-29+