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

Systemtic Name: 4-methylbenzenesulfonic acid; prop-2-enyl 2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: allyl 2-amino-3-(4-hydroxyphenyl)propanoate; 4-methylbenzenesulfonic acid CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid prop-2-enyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; prop-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid allyl ester; tosylic acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3.C7H8O3S/c1-2-7-16-12(15)11(13)8-9-3-5-10(14)6-4-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11,14H,1,7-8,13H2;2-5H,1H3,(H,8,9,10)