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8-cyano-2-sulfanyl-octanoic acid

8-cyano-2-sulfanyl-octanoic acid

Systemtic Name:8-cyano-2-sulfanyl-octanoic acid
Openeye Name:8-cyano-2-sulfanyl-octanoic acid
CAS Name:8-cyano-2-mercaptooctanoic acid
IUPAC Name:8-cyano-2-sulfanyloctanoic acid
Traditional Name:8-cyano-2-mercapto-caprylic acid
Formula: C9H15NO2S
MolecularWeight: 201.2859
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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(C(=O)O)S)CCC#N


Isomeric SMILES

C(CCCC(C(=O)O)S)CCC#N


InChI

InChI=1S/C9H15NO2S/c10-7-5-3-1-2-4-6-8(13)9(11)12/h8,13H,1-6H2,(H,11,12)


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