dihexadecyl 2-(2,4,7-trinitrofluoren-9-ylidene)propanedioate

Systemtic Name: dihexadecyl 2-(2,4,7-trinitrofluoren-9-ylidene)propanedioate Openeye Name: dihexadecyl 2-(2,4,7-trinitrofluoren-9-ylidene)propanedioate CAS Name: 2-(2,4,7-trinitro-9-fluorenylidene)propanedioic acid dihexadecyl ester IUPAC Name: dihexadecyl 2-(2,4,7-trinitrofluoren-9-ylidene)propanedioate Traditional Name: 2-(2,4,7-trinitrofluoren-9-ylidene)malonic acid dicetyl ester Formula: C48H71N3O10 MolecularWeight: 850.09144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(=C1C2=CC(=CC(=C2C3=C1C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(=C1C2=CC(=CC(=C2C3=C1C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C48H71N3O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-60-47(52)46(48(53)61-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)45-41-35-38(49(54)55)31-32-40(41)44-42(45)36-39(50(56)57)37-43(44)51(58)59/h31-32,35-37H,3-30,33-34H2,1-2H3