carboxymethyl-methyl-(3-phenylpropyl)sulfanium bromide

Systemtic Name: carboxymethyl-methyl-(3-phenylpropyl)sulfanium bromide Openeye Name: carboxymethyl-methyl-(3-phenylpropyl)sulfonium bromide CAS Name: carboxymethyl-methyl-(3-phenylpropyl)sulfonium bromide IUPAC Name: carboxymethyl-methyl-(3-phenylpropyl)sulfanium bromide Traditional Name: carboxymethyl-methyl-(3-phenylpropyl)sulfonium bromide Formula: C12H17BrO2S MolecularWeight: 305.23118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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