sodium 1,2-bis(oxidanyl)-4-(2-sulfonatosulfanylethanoyl)benzene hydrate

Systemtic Name: sodium 1,2-bis(oxidanyl)-4-(2-sulfonatosulfanylethanoyl)benzene hydrate Openeye Name: sodium 1,2-dihydroxy-4-(2-sulfonatosulfanylacetyl)benzene hydrate CAS Name: sodium 1,2-dihydroxy-4-[1-oxo-2-(sulfonatothio)ethyl]benzene hydrate IUPAC Name: sodium 1,2-dihydroxy-4-(2-sulfonatosulfanylacetyl)benzene hydrate Traditional Name: sodium 1,2-dihydroxy-4-[2-(sulfonatothio)acetyl]benzene hydrate Formula: C8H9NaO7S2 MolecularWeight: 304.27263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CSS(=O)(=O)[O-])O)O.O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)CSS(=O)(=O)[O-])O)O.O.[Na+]

InChI

InChI=1S/C8H8O6S2.Na.H2O/c9-6-2-1-5(3-7(6)10)8(11)4-15-16(12,13)14;;/h1-3,9-10H,4H2,(H,12,13,14);;1H2/q;+1;/p-1