sulfanium 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: sulfanium 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: sulfonium 4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoic acid CAS Name: sulfonium 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: sulfanium 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: sulfonium 4-(methylthio)-2-(tosylamino)butyric acid Formula: C12H20NO4S3+ MolecularWeight: 338.4865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)O.[SH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)O.[SH3+]

InChI

InChI=1S/C12H17NO4S2.H2S/c1-9-3-5-10(6-4-9)19(16,17)13-11(12(14)15)7-8-18-2;/h3-6,11,13H,7-8H2,1-2H3,(H,14,15);1H2/p+1