2-azanyl-2-phenyl-ethanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-2-phenyl-ethanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-2-phenyl-acetic acid; 4-methylbenzenesulfonic acid CAS Name: 2-amino-2-phenylacetic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-2-phenylacetic acid; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-2-phenyl-acetic acid; tosylic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO2.C7H8O3S/c9-7(8(10)11)6-4-2-1-3-5-6;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,7H,9H2,(H,10,11);2-5H,1H3,(H,8,9,10)