methyl 3-azanylbutanoate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl 3-azanylbutanoate; 4-methylbenzenesulfonic acid Openeye Name: methyl 3-aminobutanoate; 4-methylbenzenesulfonic acid CAS Name: 3-aminobutanoic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl 3-aminobutanoate; 4-methylbenzenesulfonic acid Traditional Name: 3-aminobutyric acid methyl ester; tosylic acid Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H11NO2/c1-6-2-4-7(5-3-6)11(8,9)10;1-4(6)3-5(7)8-2/h2-5H,1H3,(H,8,9,10);4H,3,6H2,1-2H3