3,6-bis[1-(2-nitrophenyl)sulfanyl-3-oxidanyl-piperidin-1-ium-1-yl]piperazine-2,5-dione

Systemtic Name: 3,6-bis[1-(2-nitrophenyl)sulfanyl-3-oxidanyl-piperidin-1-ium-1-yl]piperazine-2,5-dione Openeye Name: 3,6-bis[3-hydroxy-1-(2-nitrophenyl)sulfanyl-piperidin-1-ium-1-yl]piperazine-2,5-dione CAS Name: 3,6-bis[3-hydroxy-1-[(2-nitrophenyl)thio]-1-piperidin-1-iumyl]piperazine-2,5-dione IUPAC Name: 3,6-bis[3-hydroxy-1-(2-nitrophenyl)sulfanylpiperidin-1-ium-1-yl]piperazine-2,5-dione Traditional Name: 3,6-bis[3-hydroxy-1-[(2-nitrophenyl)thio]piperidin-1-ium-1-yl]piperazine-2,5-quinone Formula: C26H32N6O8S2+2 MolecularWeight: 620.69768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](C1)(C2C(=O)NC(C(=O)N2)[N+]3(CCCC(C3)O)SC4=CC=CC=C4[N+](=O)[O-])SC5=CC=CC=C5[N+](=O)[O-])O

Isomeric SMILES

C1CC(C[N+](C1)(C2C(=O)NC(C(=O)N2)[N+]3(CCCC(C3)O)SC4=CC=CC=C4[N+](=O)[O-])SC5=CC=CC=C5[N+](=O)[O-])O

InChI

InChI=1S/C26H30N6O8S2/c33-17-7-5-13-31(15-17,41-21-11-3-1-9-19(21)29(37)38)23-25(35)28-24(26(36)27-23)32(14-6-8-18(34)16-32)42-22-12-4-2-10-20(22)30(39)40/h1-4,9-12,17-18,23-24,33-34H,5-8,13-16H2/p+2