bis[[5-[[4-methyl-3-(4-methylphenyl)-3,3a-dihydropyrazolo[3,4-c][1,2]oxazol-6-yl]sulfonyl]quinolin-8-yl]oxy]mercury

Systemtic Name: bis[[5-[[4-methyl-3-(4-methylphenyl)-3,3a-dihydropyrazolo[3,4-c][1,2]oxazol-6-yl]sulfonyl]quinolin-8-yl]oxy]mercury Openeye Name: bis[[5-[[4-methyl-3-(p-tolyl)-3,3a-dihydropyrazolo[3,4-c]isoxazol-6-yl]sulfonyl]-8-quinolyl]oxy]mercury CAS Name: bis[[5-[[4-methyl-3-(4-methylphenyl)-3,3a-dihydropyrazolo[3,4-c]isoxazol-6-yl]sulfonyl]-8-quinolinyl]oxy]mercury IUPAC Name: bis[[5-[[4-methyl-3-(4-methylphenyl)-3,3a-dihydropyrazolo[3,4-c][1,2]oxazol-6-yl]sulfonyl]quinolin-8-yl]oxy]mercury Traditional Name: bis[[5-[[4-methyl-3-(p-tolyl)-3,3a-dihydropyrazol[3,4-c]isoxazol-6-yl]sulfonyl]-8-quinolyl]oxy]mercury Formula: C42H34HgN8O8S2 MolecularWeight: 1043.48816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=NN(C3=NO2)S(=O)(=O)C4=C5C=CC=NC5=C(C=C4)O[Hg]OC6=C7C(=C(C=C6)S(=O)(=O)N8C9=NOC(C9C(=N8)C)C1=CC=C(C=C1)C)C=CC=N7)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3C(=NN(C3=NO2)S(=O)(=O)C4=C5C=CC=NC5=C(C=C4)O[Hg]OC6=C7C(=C(C=C6)S(=O)(=O)N8C9=NOC(C9C(=N8)C)C1=CC=C(C=C1)C)C=CC=N7)C

InChI

InChI=1S/2C21H18N4O4S.Hg/c2*1-12-5-7-14(8-6-12)20-18-13(2)23-25(21(18)24-29-20)30(27,28)17-10-9-16(26)19-15(17)4-3-11-22-19;/h2*3-11,18,20,26H,1-2H3;/q;;+2/p-2