4-methylbenzenesulfonic acid; prop-2-enyl 2-azanyl-2-methyl-propanoate

Systemtic Name: 4-methylbenzenesulfonic acid; prop-2-enyl 2-azanyl-2-methyl-propanoate Openeye Name: allyl 2-amino-2-methyl-propanoate; 4-methylbenzenesulfonic acid CAS Name: 2-amino-2-methylpropanoic acid prop-2-enyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; prop-2-enyl 2-amino-2-methylpropanoate Traditional Name: 2-amino-2-methyl-propionic acid allyl ester; tosylic acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO2.C7H8O3S/c1-4-5-10-6(9)7(2,3)8;1-6-2-4-7(5-3-6)11(8,9)10/h4H,1,5,8H2,2-3H3;2-5H,1H3,(H,8,9,10)