2,2,3,3,4,4,5,5-octakis(fluoranyl)pentyl 9-(dicyanomethylidene)-2,5,7-trinitro-fluorene-4-carboxylate

Systemtic Name: 2,2,3,3,4,4,5,5-octakis(fluoranyl)pentyl 9-(dicyanomethylidene)-2,5,7-trinitro-fluorene-4-carboxylate Openeye Name: 2,2,3,3,4,4,5,5-octafluoropentyl 9-(dicyanomethylene)-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: 9-(dicyanomethylidene)-2,5,7-trinitro-4-fluorenecarboxylic acid 2,2,3,3,4,4,5,5-octafluoropentyl ester IUPAC Name: 2,2,3,3,4,4,5,5-octafluoropentyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate Traditional Name: 9-(dicyanomethylene)-2,5,7-trinitro-fluorene-4-carboxylic acid 2,2,3,3,4,4,5,5-octafluoropentyl ester Formula: C22H7F8N5O8 MolecularWeight: 621.306906

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)C3=C(C=C(C=C3C2=C(C#N)C#N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C2C(=C1C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)C3=C(C=C(C=C3C2=C(C#N)C#N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H7F8N5O8/c23-19(24)21(27,28)22(29,30)20(25,26)7-43-18(36)13-3-9(33(37)38)1-11-15(8(5-31)6-32)12-2-10(34(39)40)4-14(35(41)42)17(12)16(11)13/h1-4,19H,7H2