4,7-bis-(4-methylphenyl)sulfonyl-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 4,7-bis-(4-methylphenyl)sulfonyl-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 3-oxido-4,7-bis(p-tolylsulfonyl)-2,1,3-benzoxadiazol-3-ium CAS Name: 4,7-bis-(4-methylphenyl)sulfonyl-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4,7-bis-(4-methylphenyl)sulfonyl-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 1-oxido-4,7-ditosyl-benzofurazan-1-ium Formula: C20H16N2O6S2 MolecularWeight: 444.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=[N+](ON=C23)[O-])S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=[N+](ON=C23)[O-])S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C20H16N2O6S2/c1-13-3-7-15(8-4-13)29(24,25)17-11-12-18(20-19(17)21-28-22(20)23)30(26,27)16-9-5-14(2)6-10-16/h3-12H,1-2H3