2-azanyl-3-methyl-3-sulfanyl-octanoic acid hydrochloride

Systemtic Name: 2-azanyl-3-methyl-3-sulfanyl-octanoic acid hydrochloride Openeye Name: 2-amino-3-methyl-3-sulfanyl-octanoic acid hydrochloride CAS Name: 2-amino-3-mercapto-3-methyloctanoic acid hydrochloride IUPAC Name: 2-amino-3-methyl-3-sulfanyloctanoic acid hydrochloride Traditional Name: 2-amino-3-mercapto-3-methyl-caprylic acid hydrochloride Formula: C9H20ClNO2S MolecularWeight: 241.7786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C(C(=O)O)N)S.Cl

Isomeric SMILES

CCCCCC(C)(C(C(=O)O)N)S.Cl

InChI

InChI=1S/C9H19NO2S.ClH/c1-3-4-5-6-9(2,13)7(10)8(11)12;/h7,13H,3-6,10H2,1-2H3,(H,11,12);1H