2-carboxyethyl-methyl-phenethyl-sulfanium chloride

Systemtic Name: 2-carboxyethyl-methyl-phenethyl-sulfanium chloride Openeye Name: 2-carboxyethyl-methyl-phenethyl-sulfonium chloride CAS Name: 2-carboxyethyl-methyl-phenethylsulfonium chloride IUPAC Name: 2-carboxyethyl-methyl-phenethylsulfanium chloride Traditional Name: 2-carboxyethyl-methyl-phenethyl-sulfonium chloride Formula: C12H17ClO2S MolecularWeight: 260.78018

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC1=CC=CC=C1)CCC(=O)O.[Cl-]

Isomeric SMILES

C[S+](CCC1=CC=CC=C1)CCC(=O)O.[Cl-]

InChI

InChI=1S/C12H16O2S.ClH/c1-15(10-8-12(13)14)9-7-11-5-3-2-4-6-11;/h2-6H,7-10H2,1H3;1H