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2-octan-2-yl-1,2-thiazol-3-one

2-octan-2-yl-1,2-thiazol-3-one

Systemtic Name:2-octan-2-yl-1,2-thiazol-3-one
Openeye Name:2-(1-methylheptyl)isothiazol-3-one
CAS Name:2-octan-2-yl-3-isothiazolone
IUPAC Name:2-octan-2-yl-1,2-thiazol-3-one
Traditional Name:2-(1-methylheptyl)-4-isothiazolin-3-one
Formula: C11H19NOS
MolecularWeight: 213.33966
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C(=O)C=CS1


Isomeric SMILES

CCCCCCC(C)N1C(=O)C=CS1


InChI

InChI=1S/C11H19NOS/c1-3-4-5-6-7-10(2)12-11(13)8-9-14-12/h8-10H,3-7H2,1-2H3


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