2-azanyl-3-sulfanyl-propanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-3-sulfanyl-propanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-3-sulfanyl-propanoic acid; 4-methylbenzenesulfonic acid CAS Name: 2-amino-3-mercaptopropanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-3-sulfanylpropanoic acid; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-3-mercapto-propionic acid; tosylic acid Formula: C10H15NO5S2 MolecularWeight: 293.3598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C(C(C(=O)O)N)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C(C(C(=O)O)N)S

InChI

InChI=1S/C7H8O3S.C3H7NO2S/c1-6-2-4-7(5-3-6)11(8,9)10;4-2(1-7)3(5)6/h2-5H,1H3,(H,8,9,10);2,7H,1,4H2,(H,5,6)