5-azanyl-4-oxidanylidene-pentanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 5-azanyl-4-oxidanylidene-pentanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 5-amino-4-oxo-pentanoic acid; 4-methylbenzenesulfonic acid CAS Name: 5-amino-4-oxopentanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: 5-amino-4-oxopentanoic acid; 4-methylbenzenesulfonic acid Traditional Name: 5-amino-4-keto-valeric acid; 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.C(CC(=O)O)C(=O)CN

Isomeric SMILES

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

InChI

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