hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitro-fluorene-4-carboxylate

Systemtic Name: hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitro-fluorene-4-carboxylate Openeye Name: hexadecyl 9-(dicyanomethylene)-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: 9-(dicyanomethylidene)-2,5,7-trinitro-4-fluorenecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate Traditional Name: 9-(dicyanomethylene)-2,5,7-trinitro-fluorene-4-carboxylic acid cetyl ester Formula: C33H37N5O8 MolecularWeight: 631.67558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H37N5O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-46-33(39)28-19-24(36(40)41)17-26-30(23(21-34)22-35)27-18-25(37(42)43)20-29(38(44)45)32(27)31(26)28/h17-20H,2-16H2,1H3