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6-(phenylmethylsulfanyl)hexanoic acid

6-(phenylmethylsulfanyl)hexanoic acid

Systemtic Name:6-(phenylmethylsulfanyl)hexanoic acid
Openeye Name:6-benzylsulfanylhexanoic acid
CAS Name:6-(phenylmethylthio)hexanoic acid
IUPAC Name:6-benzylsulfanylhexanoic acid
Traditional Name:6-(benzylthio)hexanoic acid
Formula: C13H18O2S
MolecularWeight: 238.34582
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCCC(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CSCCCCCC(=O)O


InChI

InChI=1S/C13H18O2S/c14-13(15)9-5-2-6-10-16-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,15)


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