triazanium 5-oxidanyl-6-oxidanylsulfonothioyloxy-benzene-1,2,4-trisulfonate

Systemtic Name: triazanium 5-oxidanyl-6-oxidanylsulfonothioyloxy-benzene-1,2,4-trisulfonate Openeye Name: triammonium 5-hydroxy-6-hydroxysulfonothioyloxy-benzene-1,2,4-trisulfonate CAS Name: triammonium 5-hydroxy-6-hydroxysulfonothioyloxybenzene-1,2,4-trisulfonate IUPAC Name: triazanium 5-hydroxy-6-hydroxysulfonothioyloxybenzene-1,2,4-trisulfonate Traditional Name: triammonium 5-hydroxy-6-hydroxysulfonothioyloxy-benzene-1,2,4-trisulfonate Formula: C6H15N3O13S5 MolecularWeight: 497.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OS(=O)(=S)O)O)S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1=C(C(=C(C(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OS(=O)(=S)O)O)S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C6H6O13S5.3H3N/c7-4-2(21(8,9)10)1-3(22(11,12)13)6(23(14,15)16)5(4)19-24(17,18)20;;;/h1,7H,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,20);3*1H3