2-azanyl-3-(4-methoxyphenyl)propanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-3-(4-methoxyphenyl)propanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-3-(4-methoxyphenyl)propanoic acid; 4-methylbenzenesulfonic acid CAS Name: 2-amino-3-(4-methoxyphenyl)propanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-3-(4-methoxyphenyl)propanoic acid; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-3-(4-methoxyphenyl)propionic acid; tosylic acid Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C10H13NO3.C7H8O3S/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,9H,6,11H2,1H3,(H,12,13);2-5H,1H3,(H,8,9,10)