(9E)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]fluorene-4-carboxylate

Systemtic Name: (9E)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]fluorene-4-carboxylate Openeye Name: (9E)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylene]fluorene-4-carboxylate CAS Name: (9E)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]-4-fluorenecarboxylate IUPAC Name: (9E)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]fluorene-4-carboxylate Traditional Name: (9E)-2,5,7-trinitro-9-(4-octoxybenzylidene)fluorene-4-carboxylate Formula: C29H26N3O9- MolecularWeight: 560.53144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C3=CC(=CC(=C3C4=C(C=C(C=C24)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/2\C3=CC(=CC(=C3C4=C(C=C(C=C24)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H27N3O9/c1-2-3-4-5-6-7-12-41-21-10-8-18(9-11-21)13-22-23-14-19(30(35)36)16-25(29(33)34)27(23)28-24(22)15-20(31(37)38)17-26(28)32(39)40/h8-11,13-17H,2-7,12H2,1H3,(H,33,34)/p-1/b22-13+