2-carboxyethyl-methyl-(3-phenylpropyl)sulfanium chloride

Systemtic Name: 2-carboxyethyl-methyl-(3-phenylpropyl)sulfanium chloride Openeye Name: 2-carboxyethyl-methyl-(3-phenylpropyl)sulfonium chloride CAS Name: 2-carboxyethyl-methyl-(3-phenylpropyl)sulfonium chloride IUPAC Name: 2-carboxyethyl-methyl-(3-phenylpropyl)sulfanium chloride Traditional Name: 2-carboxyethyl-methyl-(3-phenylpropyl)sulfonium chloride Formula: C13H19ClO2S MolecularWeight: 274.80676

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCCC1=CC=CC=C1)CCC(=O)O.[Cl-]

Isomeric SMILES

C[S+](CCCC1=CC=CC=C1)CCC(=O)O.[Cl-]

InChI

InChI=1S/C13H18O2S.ClH/c1-16(11-9-13(14)15)10-5-8-12-6-3-2-4-7-12;/h2-4,6-7H,5,8-11H2,1H3;1H