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(2S)-2-[(phenylmethylsulfanyl)methyl]butanoic acid

(2S)-2-[(phenylmethylsulfanyl)methyl]butanoic acid

Systemtic Name:(2S)-2-[(phenylmethylsulfanyl)methyl]butanoic acid
Openeye Name:(2S)-2-(benzylsulfanylmethyl)butanoic acid
CAS Name:(2S)-2-[(phenylmethylthio)methyl]butanoic acid
IUPAC Name:(2S)-2-(benzylsulfanylmethyl)butanoic acid
Traditional Name:(2S)-2-[(benzylthio)methyl]butyric acid
Formula: C12H16O2S
MolecularWeight: 224.31924
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSCC1=CC=CC=C1)C(=O)O


Isomeric SMILES

CC[C@H](CSCC1=CC=CC=C1)C(=O)O


InChI

InChI=1S/C12H16O2S/c1-2-11(12(13)14)9-15-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,13,14)/t11-/m1/s1


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