sodium 3-sulfanylbenzenesulfonate

Systemtic Name: sodium 3-sulfanylbenzenesulfonate Openeye Name: sodium 3-sulfanylbenzenesulfonate CAS Name: sodium 3-mercaptobenzenesulfonate IUPAC Name: sodium 3-sulfanylbenzenesulfonate Traditional Name: sodium 3-mercaptobesylate Formula: C6H5NaO3S2 MolecularWeight: 212.22187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6O3S2.Na/c7-11(8,9)6-3-1-2-5(10)4-6;/h1-4,10H,(H,7,8,9);/q;+1/p-1