disodium 2-oxidanylbenzene-1,3,5-trisulfonate disulfate

Systemtic Name: disodium 2-oxidanylbenzene-1,3,5-trisulfonate disulfate Openeye Name: disodium 2-hydroxybenzene-1,3,5-trisulfonate disulfate CAS Name: disodium 2-hydroxybenzene-1,3,5-trisulfonate disulfate IUPAC Name: disodium 2-hydroxybenzene-1,3,5-trisulfonate disulfate Traditional Name: disodium 2-hydroxybenzene-1,3,5-trisulfonate disulfate Formula: C6H3Na2O18S5-5 MolecularWeight: 569.38176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6O10S3.2Na.2H2O4S/c7-6-4(18(11,12)13)1-3(17(8,9)10)2-5(6)19(14,15)16;;;2*1-5(2,3)4/h1-2,7H,(H,8,9,10)(H,11,12,13)(H,14,15,16);;;2*(H2,1,2,3,4)/q;2*+1;;/p-7