methyl 4-azanyl-3-oxidanylidene-butanoate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl 4-azanyl-3-oxidanylidene-butanoate; 4-methylbenzenesulfonic acid Openeye Name: methyl 4-amino-3-oxo-butanoate; 4-methylbenzenesulfonic acid CAS Name: 4-amino-3-oxobutanoic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl 4-amino-3-oxobutanoate; 4-methylbenzenesulfonic acid Traditional Name: 4-amino-3-keto-butyric acid methyl ester; tosylic acid Formula: C12H17NO6S MolecularWeight: 303.33148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)CC(=O)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)CC(=O)CN

InChI

InChI=1S/C7H8O3S.C5H9NO3/c1-6-2-4-7(5-3-6)11(8,9)10;1-9-5(8)2-4(7)3-6/h2-5H,1H3,(H,8,9,10);2-3,6H2,1H3