[1-sulfanyl-3-(4-sulfophenyl)propan-2-yl]azanium chloride

Systemtic Name: [1-sulfanyl-3-(4-sulfophenyl)propan-2-yl]azanium chloride Openeye Name: [1-(sulfanylmethyl)-2-(4-sulfophenyl)ethyl]ammonium chloride CAS Name: [1-mercapto-3-(4-sulfophenyl)propan-2-yl]ammonium chloride IUPAC Name: [1-sulfanyl-3-(4-sulfophenyl)propan-2-yl]azanium chloride Traditional Name: [1-(mercaptomethyl)-2-(4-sulfophenyl)ethyl]ammonium chloride Formula: C9H14ClNO3S2 MolecularWeight: 283.79536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS)[NH3+])S(=O)(=O)O.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1CC(CS)[NH3+])S(=O)(=O)O.[Cl-]

InChI

InChI=1S/C9H13NO3S2.ClH/c10-8(6-14)5-7-1-3-9(4-2-7)15(11,12)13;/h1-4,8,14H,5-6,10H2,(H,11,12,13);1H