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

Systemtic Name: 2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-one Openeye Name: 2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-one CAS Name: 2,7-bis(1-azepanylsulfonyl)-4,5-dinitro-9-fluorenone IUPAC Name: 2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitrofluoren-9-one Traditional Name: 2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-one Formula: C25H28N4O9S2 MolecularWeight: 592.64122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)N5CCCCCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)N5CCCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O9S2/c30-25-19-13-17(39(35,36)26-9-5-1-2-6-10-26)15-21(28(31)32)23(19)24-20(25)14-18(16-22(24)29(33)34)40(37,38)27-11-7-3-4-8-12-27/h13-16H,1-12H2