2-azanyl-3-phenyl-propanoic acid; 2,5-dimethylbenzenesulfonic acid

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 2,5-dimethylbenzenesulfonic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 2,5-dimethylbenzenesulfonic acid CAS Name: 2-amino-3-phenylpropanoic acid; 2,5-dimethylbenzenesulfonic acid IUPAC Name: 2-amino-3-phenylpropanoic acid; 2,5-dimethylbenzenesulfonic acid Traditional Name: 2-amino-3-phenyl-propionic acid; 2,5-dimethylbesylic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C8H10O3S/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-6-3-4-7(2)8(5-6)12(9,10)11/h1-5,8H,6,10H2,(H,11,12);3-5H,1-2H3,(H,9,10,11)