2-[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-ylidene]propanedinitrile

Systemtic Name: 2-[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-ylidene]propanedinitrile Openeye Name: 2-[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-ylidene]propanedinitrile CAS Name: 2-[2,7-bis(1-azepanylsulfonyl)-4,5-dinitro-9-fluorenylidene]propanedinitrile IUPAC Name: 2-[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitrofluoren-9-ylidene]propanedinitrile Traditional Name: 2-[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-ylidene]malononitrile Formula: C28H28N6O8S2 MolecularWeight: 640.68732

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28N6O8S2/c29-17-19(18-30)26-22-13-20(43(39,40)31-9-5-1-2-6-10-31)15-24(33(35)36)27(22)28-23(26)14-21(16-25(28)34(37)38)44(41,42)32-11-7-3-4-8-12-32/h13-16H,1-12H2