[1-(4-carboxyphenyl)-2-sulfanyl-ethyl]azanium

Systemtic Name: [1-(4-carboxyphenyl)-2-sulfanyl-ethyl]azanium Openeye Name: [1-(4-carboxyphenyl)-2-sulfanyl-ethyl]ammonium CAS Name: [1-(4-carboxyphenyl)-2-mercaptoethyl]ammonium IUPAC Name: [1-(4-carboxyphenyl)-2-sulfanylethyl]azanium Traditional Name: [1-(4-carboxyphenyl)-2-mercapto-ethyl]ammonium Formula: C9H12NO2S+ MolecularWeight: 198.26208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CS)[NH3+])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CS)[NH3+])C(=O)O

InChI

InChI=1S/C9H11NO2S/c10-8(5-13)6-1-3-7(4-2-6)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)/p+1