bis[[5-[[5-ethanoyl-3-methyl-4-(4-nitrophenyl)-3a,4-dihydropyrazolo[3,4-c]pyrazol-1-yl]sulfonyl]quinolin-8-yl]oxy]mercury

Systemtic Name: bis[[5-[[5-ethanoyl-3-methyl-4-(4-nitrophenyl)-3a,4-dihydropyrazolo[3,4-c]pyrazol-1-yl]sulfonyl]quinolin-8-yl]oxy]mercury Openeye Name: bis[[5-[[5-acetyl-3-methyl-4-(4-nitrophenyl)-3a,4-dihydropyrazolo[3,4-c]pyrazol-1-yl]sulfonyl]-8-quinolyl]oxy]mercury CAS Name: bis[[5-[[5-acetyl-3-methyl-4-(4-nitrophenyl)-3a,4-dihydropyrazolo[3,4-c]pyrazol-1-yl]sulfonyl]-8-quinolinyl]oxy]mercury IUPAC Name: bis[[5-[[5-acetyl-3-methyl-4-(4-nitrophenyl)-3a,4-dihydropyrazolo[3,4-c]pyrazol-1-yl]sulfonyl]quinolin-8-yl]oxy]mercury Traditional Name: bis[[5-[[5-acetyl-3-methyl-4-(4-nitrophenyl)-3a,4-dihydropyrazolo[3,4-c]pyrazol-1-yl]sulfonyl]-8-quinolyl]oxy]mercury Formula: C44H34HgN12O12S2 MolecularWeight: 1187.53396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NN(C(C12)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C)S(=O)(=O)C4=C5C=CC=NC5=C(C=C4)O[Hg]OC6=C7C(=C(C=C6)S(=O)(=O)N8C9=NN(C(C9C(=N8)C)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C)C=CC=N7

Isomeric SMILES

CC1=NN(C2=NN(C(C12)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C)S(=O)(=O)C4=C5C=CC=NC5=C(C=C4)O[Hg]OC6=C7C(=C(C=C6)S(=O)(=O)N8C9=NN(C(C9C(=N8)C)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C)C=CC=N7

InChI

InChI=1S/2C22H18N6O6S.Hg/c2*1-12-19-21(14-5-7-15(8-6-14)28(31)32)26(13(2)29)25-22(19)27(24-12)35(33,34)18-10-9-17(30)20-16(18)4-3-11-23-20;/h2*3-11,19,21,30H,1-2H3;/q;;+2/p-2