2-azanyl-3-methyl-butanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-3-methyl-butanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-3-methyl-butanoic acid; 4-methylbenzenesulfonic acid CAS Name: 2-amino-3-methylbutanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-3-methylbutanoic acid; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-3-methyl-butyric acid; tosylic acid Formula: C12H19NO5S MolecularWeight: 289.34796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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