2,7-bis(benzimidazol-1-ylsulfonyl)-4,5-dinitro-fluoren-9-one

Systemtic Name: 2,7-bis(benzimidazol-1-ylsulfonyl)-4,5-dinitro-fluoren-9-one Openeye Name: 2,7-bis(benzimidazol-1-ylsulfonyl)-4,5-dinitro-fluoren-9-one CAS Name: 2,7-bis(1-benzimidazolylsulfonyl)-4,5-dinitro-9-fluorenone IUPAC Name: 2,7-bis(benzimidazol-1-ylsulfonyl)-4,5-dinitrofluoren-9-one Traditional Name: 2,7-bis(benzimidazol-1-ylsulfonyl)-4,5-dinitro-fluoren-9-one Formula: C27H14N6O9S2 MolecularWeight: 630.56486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2S(=O)(=O)C3=CC(=C4C(=C3)C(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)N6C=NC7=CC=CC=C76)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2S(=O)(=O)C3=CC(=C4C(=C3)C(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)N6C=NC7=CC=CC=C76)[N+](=O)[O-]

InChI

InChI=1S/C27H14N6O9S2/c34-27-17-9-15(43(39,40)30-13-28-19-5-1-3-7-21(19)30)11-23(32(35)36)25(17)26-18(27)10-16(12-24(26)33(37)38)44(41,42)31-14-29-20-6-2-4-8-22(20)31/h1-14H