sodium 1-(4-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethanesulfonate hydrate

Systemtic Name: sodium 1-(4-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethanesulfonate hydrate Openeye Name: sodium 2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethanesulfonate hydrate CAS Name: sodium 2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethanesulfonate hydrate IUPAC Name: sodium 2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethanesulfonate hydrate Traditional Name: sodium 2-hydroxy-1-(4-hydroxyphenyl)-2-keto-ethanesulfonate hydrate Formula: C8H9NaO7S MolecularWeight: 272.20763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O6S.Na.H2O/c9-6-3-1-5(2-4-6)7(8(10)11)15(12,13)14;;/h1-4,7,9H,(H,10,11)(H,12,13,14);;1H2/q;+1;/p-1