4,5-dinitro-2,7-bis[(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl]fluoren-9-one

Systemtic Name: 4,5-dinitro-2,7-bis[(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl]fluoren-9-one Openeye Name: 4,5-dinitro-2,7-bis[(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl]fluoren-9-one CAS Name: 4,5-dinitro-2,7-bis[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-9-fluorenone IUPAC Name: 4,5-dinitro-2,7-bis[(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl]fluoren-9-one Traditional Name: 4,5-dinitro-2,7-bis[(4-pyridin-1-ium-2-ylpiperazino)sulfonyl]fluoren-9-one Formula: C31H30N8O9S2+2 MolecularWeight: 722.7481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC(=C4C(=C3)C(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)N6CCN(CC6)C7=CC=CC=[NH+]7)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC(=C4C(=C3)C(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)N6CCN(CC6)C7=CC=CC=[NH+]7)[N+](=O)[O-]

InChI

InChI=1S/C31H28N8O9S2/c40-31-23-17-21(49(45,46)36-13-9-34(10-14-36)27-5-1-3-7-32-27)19-25(38(41)42)29(23)30-24(31)18-22(20-26(30)39(43)44)50(47,48)37-15-11-35(12-16-37)28-6-2-4-8-33-28/h1-8,17-20H,9-16H2/p+2