trisodium 4,6-bis(oxidanyl)-2-sulfonatooxy-benzene-1,3-disulfonate

Systemtic Name: trisodium 4,6-bis(oxidanyl)-2-sulfonatooxy-benzene-1,3-disulfonate Openeye Name: trisodium 4,6-dihydroxy-2-sulfonatooxy-benzene-1,3-disulfonate CAS Name: trisodium 4,6-dihydroxy-2-sulfonatooxybenzene-1,3-disulfonate IUPAC Name: trisodium 4,6-dihydroxy-2-sulfonatooxybenzene-1,3-disulfonate Traditional Name: trisodium 4,6-dihydroxy-2-sulfato-benzene-1,3-disulfonate Formula: C6H3Na3O12S3 MolecularWeight: 432.24513

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1O)S(=O)(=O)[O-])OS(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C(=C(C(=C1O)S(=O)(=O)[O-])OS(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C6H6O12S3.3Na/c7-2-1-3(8)6(20(12,13)14)4(18-21(15,16)17)5(2)19(9,10)11;;;/h1,7-8H,(H,9,10,11)(H,12,13,14)(H,15,16,17);;;/q;3*+1/p-3