sodium 2-oxidanyl-5-sulfo-benzoate hydrate

Systemtic Name: sodium 2-oxidanyl-5-sulfo-benzoate hydrate Openeye Name: sodium 2-hydroxy-5-sulfo-benzoate hydrate CAS Name: sodium 2-hydroxy-5-sulfobenzoate hydrate IUPAC Name: sodium 2-hydroxy-5-sulfobenzoate hydrate Traditional Name: sodium 2-hydroxy-5-sulfo-benzoate hydrate Formula: C7H7NaO7S MolecularWeight: 258.18105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O6S.Na.H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);;1H2/q;+1;/p-1