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2-(phenylcarbonylsulfanylmethyl)pentanoate

2-(phenylcarbonylsulfanylmethyl)pentanoate

Systemtic Name:2-(phenylcarbonylsulfanylmethyl)pentanoate
Openeye Name:2-(benzoylsulfanylmethyl)pentanoate
CAS Name:2-[(benzoylthio)methyl]pentanoate
IUPAC Name:2-(benzoylsulfanylmethyl)pentanoate
Traditional Name:2-[(benzoylthio)methyl]valerate
Formula: C13H15O3S-
MolecularWeight: 251.3214
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CSC(=O)C1=CC=CC=C1)C(=O)[O-]


Isomeric SMILES

CCCC(CSC(=O)C1=CC=CC=C1)C(=O)[O-]


InChI

InChI=1S/C13H16O3S/c1-2-6-11(12(14)15)9-17-13(16)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,14,15)/p-1


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