phenylazanium; 2-sulfanylbenzenesulfonate

Systemtic Name: phenylazanium; 2-sulfanylbenzenesulfonate Openeye Name: phenylammonium; 2-sulfanylbenzenesulfonate CAS Name: 2-mercaptobenzenesulfonate; phenylammonium IUPAC Name: phenylazanium; 2-sulfanylbenzenesulfonate Traditional Name: 2-mercaptobesylate; phenylammonium Formula: C12H13NO3S2 MolecularWeight: 283.36652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH3+].C1=CC=C(C(=C1)S)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[NH3+].C1=CC=C(C(=C1)S)S(=O)(=O)[O-]

InChI

InChI=1S/C6H7N.C6H6O3S2/c7-6-4-2-1-3-5-6;7-11(8,9)6-4-2-1-3-5(6)10/h1-5H,7H2;1-4,10H,(H,7,8,9)