2-(2-methyloctyl)-1,2-thiazol-3-one

Systemtic Name: 2-(2-methyloctyl)-1,2-thiazol-3-one Openeye Name: 2-(2-methyloctyl)isothiazol-3-one CAS Name: 2-(2-methyloctyl)-3-isothiazolone IUPAC Name: 2-(2-methyloctyl)-1,2-thiazol-3-one Traditional Name: 2-(2-methyloctyl)-4-isothiazolin-3-one Formula: C12H21NOS MolecularWeight: 227.36624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CN1C(=O)C=CS1

Isomeric SMILES

CCCCCCC(C)CN1C(=O)C=CS1

InChI

InChI=1S/C12H21NOS/c1-3-4-5-6-7-11(2)10-13-12(14)8-9-15-13/h8-9,11H,3-7,10H2,1-2H3