2-[(2-aminophenyl)methylsulfanylmethyl]octanoic acid hydrochloride

Systemtic Name: 2-[(2-aminophenyl)methylsulfanylmethyl]octanoic acid hydrochloride Openeye Name: 2-[(2-aminophenyl)methylsulfanylmethyl]octanoic acid hydrochloride CAS Name: 2-[[(2-aminophenyl)methylthio]methyl]octanoic acid hydrochloride IUPAC Name: 2-[(2-aminophenyl)methylsulfanylmethyl]octanoic acid hydrochloride Traditional Name: 2-[[(2-aminobenzyl)thio]methyl]caprylic acid hydrochloride Formula: C16H26ClNO2S MolecularWeight: 331.90114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CSCC1=CC=CC=C1N)C(=O)O.Cl

Isomeric SMILES

CCCCCCC(CSCC1=CC=CC=C1N)C(=O)O.Cl

InChI

InChI=1S/C16H25NO2S.ClH/c1-2-3-4-5-9-14(16(18)19)12-20-11-13-8-6-7-10-15(13)17;/h6-8,10,14H,2-5,9,11-12,17H2,1H3,(H,18,19);1H