4-methylbenzenesulfonic acid; prop-2-enyl (2S)-2-azanyl-3-phenyl-propanoate

Systemtic Name: 4-methylbenzenesulfonic acid; prop-2-enyl (2S)-2-azanyl-3-phenyl-propanoate Openeye Name: allyl (2S)-2-amino-3-phenyl-propanoate; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-amino-3-phenylpropanoic acid prop-2-enyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; prop-2-enyl (2S)-2-amino-3-phenylpropanoate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid allyl ester; tosylic acid Formula: C19H23NO5S MolecularWeight: 377.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C=CCOC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C12H15NO2.C7H8O3S/c1-2-8-15-12(14)11(13)9-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,11H,1,8-9,13H2;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1