disodium 4,5-bis(oxidanyl)benzene-1,3-disulfonate hydrate

Systemtic Name: disodium 4,5-bis(oxidanyl)benzene-1,3-disulfonate hydrate Openeye Name: disodium 4,5-dihydroxybenzene-1,3-disulfonate hydrate CAS Name: disodium 4,5-dihydroxybenzene-1,3-disulfonate hydrate IUPAC Name: disodium 4,5-dihydroxybenzene-1,3-disulfonate hydrate Traditional Name: disodium 4,5-dihydroxybenzene-1,3-disulfonate hydrate Formula: C6H6Na2O9S2 MolecularWeight: 332.21598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6O8S2.2Na.H2O/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2