sodium 4-carboxybenzenesulfinate hydrate

Systemtic Name: sodium 4-carboxybenzenesulfinate hydrate Openeye Name: sodium 4-carboxybenzenesulfinate hydrate CAS Name: sodium 4-carboxybenzenesulfinate hydrate IUPAC Name: sodium 4-carboxybenzenesulfinate hydrate Traditional Name: sodium 4-carboxybenzenesulfinate hydrate Formula: C7H7NaO5S MolecularWeight: 226.18225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O4S.Na.H2O/c8-7(9)5-1-3-6(4-2-5)12(10)11;;/h1-4H,(H,8,9)(H,10,11);;1H2/q;+1;/p-1