2-sulfanylbenzenesulfonate; triethylazanium

Systemtic Name: 2-sulfanylbenzenesulfonate; triethylazanium Openeye Name: 2-sulfanylbenzenesulfonate; triethylammonium CAS Name: 2-mercaptobenzenesulfonate; triethylammonium IUPAC Name: 2-sulfanylbenzenesulfonate; triethylazanium Traditional Name: 2-mercaptobesylate; triethylammonium Formula: C12H21NO3S2 MolecularWeight: 291.43004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H15N.C6H6O3S2/c1-4-7(5-2)6-3;7-11(8,9)6-4-2-1-3-5(6)10/h4-6H2,1-3H3;1-4,10H,(H,7,8,9)