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

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-methylbenzenesulfonic acid Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-methylbenzenesulfonic acid CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-methylbenzenesulfonic acid IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-methylbenzenesulfonic acid Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 2-methylbesylic acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C9H11NO3.C7H8O3S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-6-4-2-3-5-7(6)11(8,9)10/h1-4,8,11H,5,10H2,(H,12,13);2-5H,1H3,(H,8,9,10)