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2-(3-methylsulfanylpropanoyl)octanoate

2-(3-methylsulfanylpropanoyl)octanoate

Systemtic Name:2-(3-methylsulfanylpropanoyl)octanoate
Openeye Name:2-(3-methylsulfanylpropanoyl)octanoate
CAS Name:2-[3-(methylthio)-1-oxopropyl]octanoate
IUPAC Name:2-(3-methylsulfanylpropanoyl)octanoate
Traditional Name:2-[3-(methylthio)propanoyl]caprylate
Formula: C12H21O3S-
MolecularWeight: 245.35834
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)CCSC)C(=O)[O-]


Isomeric SMILES

CCCCCCC(C(=O)CCSC)C(=O)[O-]


InChI

InChI=1S/C12H22O3S/c1-3-4-5-6-7-10(12(14)15)11(13)8-9-16-2/h10H,3-9H2,1-2H3,(H,14,15)/p-1


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