2-azanyl-2-(4-isothiocyanatophenyl)pentanoic acid trihydrochloride

Systemtic Name: 2-azanyl-2-(4-isothiocyanatophenyl)pentanoic acid trihydrochloride Openeye Name: 2-amino-2-(4-isothiocyanatophenyl)pentanoic acid trihydrochloride CAS Name: 2-amino-2-(4-isothiocyanatophenyl)pentanoic acid trihydrochloride IUPAC Name: 2-amino-2-(4-isothiocyanatophenyl)pentanoic acid trihydrochloride Traditional Name: 2-amino-2-(4-isothiocyanatophenyl)valeric acid trihydrochloride Formula: C12H17Cl3N2O2S MolecularWeight: 359.69958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)N=C=S)(C(=O)O)N.Cl.Cl.Cl

Isomeric SMILES

CCCC(C1=CC=C(C=C1)N=C=S)(C(=O)O)N.Cl.Cl.Cl

InChI

InChI=1S/C12H14N2O2S.3ClH/c1-2-7-12(13,11(15)16)9-3-5-10(6-4-9)14-8-17;;;/h3-6H,2,7,13H2,1H3,(H,15,16);3*1H