methyl 5-azanyl-4-oxidanylidene-pentanoate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl 5-azanyl-4-oxidanylidene-pentanoate; 4-methylbenzenesulfonic acid Openeye Name: methyl 5-amino-4-oxo-pentanoate; 4-methylbenzenesulfonic acid CAS Name: 5-amino-4-oxopentanoic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl 5-amino-4-oxopentanoate; 4-methylbenzenesulfonic acid Traditional Name: 5-amino-4-keto-valeric acid methyl ester; tosylic acid Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H11NO3/c1-6-2-4-7(5-3-6)11(8,9)10;1-10-6(9)3-2-5(8)4-7/h2-5H,1H3,(H,8,9,10);2-4,7H2,1H3