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

Systemtic Name: 2-azanyl-3-methyl-butanoic acid; 4-ethylbenzenesulfonic acid Openeye Name: 2-amino-3-methyl-butanoic acid; 4-ethylbenzenesulfonic acid CAS Name: 2-amino-3-methylbutanoic acid; 4-ethylbenzenesulfonic acid IUPAC Name: 2-amino-3-methylbutanoic acid; 4-ethylbenzenesulfonic acid Traditional Name: 2-amino-3-methyl-butyric acid; 4-ethylbesylic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)O)N

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)O)N

InChI

InChI=1S/C8H10O3S.C5H11NO2/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-3(2)4(6)5(7)8/h3-6H,2H2,1H3,(H,9,10,11);3-4H,6H2,1-2H3,(H,7,8)