(5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexyl)-(2-sulfanylethyl)azanium dichloride

Systemtic Name: (5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexyl)-(2-sulfanylethyl)azanium dichloride Openeye Name: (5-azaniumyl-6-hydroxy-6-oxo-hexyl)-(2-sulfanylethyl)ammonium dichloride CAS Name: (5-ammonio-6-hydroxy-6-oxohexyl)-(2-mercaptoethyl)ammonium dichloride IUPAC Name: (5-azaniumyl-6-hydroxy-6-oxohexyl)-(2-sulfanylethyl)azanium dichloride Traditional Name: (5-ammonio-6-hydroxy-6-keto-hexyl)-(2-mercaptoethyl)ammonium dichloride Formula: C8H20Cl2N2O2S MolecularWeight: 279.2276

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Descriptors Computed from Structure

Canonical SMILES:

C(CC[NH2+]CCS)CC(C(=O)O)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C(CC[NH2+]CCS)CC(C(=O)O)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C8H18N2O2S.2ClH/c9-7(8(11)12)3-1-2-4-10-5-6-13;;/h7,10,13H,1-6,9H2,(H,11,12);2*1H