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2-(1,3-thiazol-2-ylsulfanyl)octanoic acid

2-(1,3-thiazol-2-ylsulfanyl)octanoic acid

Systemtic Name:2-(1,3-thiazol-2-ylsulfanyl)octanoic acid
Openeye Name:2-thiazol-2-ylsulfanyloctanoic acid
CAS Name:2-(2-thiazolylthio)octanoic acid
IUPAC Name:2-(1,3-thiazol-2-ylsulfanyl)octanoic acid
Traditional Name:2-(thiazol-2-ylthio)caprylic acid
Formula: C11H17NO2S2
MolecularWeight: 259.38818
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC=CS1


Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC=CS1


InChI

InChI=1S/C11H17NO2S2/c1-2-3-4-5-6-9(10(13)14)16-11-12-7-8-15-11/h7-9H,2-6H2,1H3,(H,13,14)


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