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

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 4-methylbenzenesulfonic acid CAS Name: 2-amino-3-phenylpropanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-3-phenylpropanoic acid; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-3-phenyl-propionic acid; tosylic acid Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C7H8O3S/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,8H,6,10H2,(H,11,12);2-5H,1H3,(H,8,9,10)