2-azanylethanoic acid; 4-methylbenzenesulfonate

Systemtic Name: 2-azanylethanoic acid; 4-methylbenzenesulfonate Openeye Name: 2-aminoacetic acid; 4-methylbenzenesulfonate CAS Name: 2-aminoacetic acid; 4-methylbenzenesulfonate IUPAC Name: 2-aminoacetic acid; 4-methylbenzenesulfonate Traditional Name: 2-aminoacetic acid tosylate Formula: C9H12NO5S- MolecularWeight: 246.26028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(C(=O)O)N

InChI

InChI=1S/C7H8O3S.C2H5NO2/c1-6-2-4-7(5-3-6)11(8,9)10;3-1-2(4)5/h2-5H,1H3,(H,8,9,10);1,3H2,(H,4,5)/p-1