(9Z)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]fluorene-4-carboxylic acid

Systemtic Name: (9Z)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]fluorene-4-carboxylic acid Openeye Name: (9Z)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylene]fluorene-4-carboxylic acid CAS Name: (9Z)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]-4-fluorenecarboxylic acid IUPAC Name: (9Z)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]fluorene-4-carboxylic acid Traditional Name: (9Z)-2,5,7-trinitro-9-(4-octoxybenzylidene)fluorene-4-carboxylic acid Formula: C29H27N3O9 MolecularWeight: 561.53938

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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)/b22-13-