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

Systemtic Name: methyl (9Z)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]fluorene-4-carboxylate Openeye Name: methyl (9Z)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylene]fluorene-4-carboxylate CAS Name: (9Z)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]-4-fluorenecarboxylic acid methyl ester IUPAC Name: methyl (9Z)-2,5,7-trinitro-9-[(4-octoxyphenyl)methylidene]fluorene-4-carboxylate Traditional Name: (9Z)-2,5,7-trinitro-9-(4-octoxybenzylidene)fluorene-4-carboxylic acid methyl ester Formula: C30H29N3O9 MolecularWeight: 575.56596

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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)OC)[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)OC)[N+](=O)[O-]

InChI

InChI=1S/C30H29N3O9/c1-3-4-5-6-7-8-13-42-22-11-9-19(10-12-22)14-23-24-15-20(31(35)36)17-26(30(34)41-2)28(24)29-25(23)16-21(32(37)38)18-27(29)33(39)40/h9-12,14-18H,3-8,13H2,1-2H3/b23-14-