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(phenylmethylsulfanyl) pentanoate

(phenylmethylsulfanyl) pentanoate

Systemtic Name:(phenylmethylsulfanyl) pentanoate
Openeye Name:benzylsulfanyl pentanoate
CAS Name:pentanoic acid (phenylmethylthio) ester
IUPAC Name:benzylsulfanyl pentanoate
Traditional Name:valeric acid (benzylthio) ester
Formula: C12H16O2S
MolecularWeight: 224.31924
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OSCC1=CC=CC=C1


Isomeric SMILES

CCCCC(=O)OSCC1=CC=CC=C1


InChI

InChI=1S/C12H16O2S/c1-2-3-9-12(13)14-15-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3


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