sodium 3-azanyl-4-sulfanyl-benzenesulfonic acid

Systemtic Name: sodium 3-azanyl-4-sulfanyl-benzenesulfonic acid Openeye Name: sodium 3-amino-4-sulfanyl-benzenesulfonic acid CAS Name: sodium 3-amino-4-mercaptobenzenesulfonic acid IUPAC Name: sodium 3-amino-4-sulfanylbenzenesulfonic acid Traditional Name: sodium 3-amino-4-mercapto-besylic acid Formula: C6H7NNaO3S2+ MolecularWeight: 228.24445

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7NO3S2.Na/c7-5-3-4(12(8,9)10)1-2-6(5)11;/h1-3,11H,7H2,(H,8,9,10);/q;+1