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8-(phenylmethylsulfanyl)octanoic acid

8-(phenylmethylsulfanyl)octanoic acid

Systemtic Name:8-(phenylmethylsulfanyl)octanoic acid
Openeye Name:8-benzylsulfanyloctanoic acid
CAS Name:8-(phenylmethylthio)octanoic acid
IUPAC Name:8-benzylsulfanyloctanoic acid
Traditional Name:8-(benzylthio)caprylic acid
Formula: C15H22O2S
MolecularWeight: 266.39898
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCCCCC(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CSCCCCCCCC(=O)O


InChI

InChI=1S/C15H22O2S/c16-15(17)11-7-2-1-3-8-12-18-13-14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2,(H,16,17)


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