2-octadecan-9-yl-1,2-thiazol-3-one

Systemtic Name: 2-octadecan-9-yl-1,2-thiazol-3-one Openeye Name: 2-(1-octyldecyl)isothiazol-3-one CAS Name: 2-octadecan-9-yl-3-isothiazolone IUPAC Name: 2-octadecan-9-yl-1,2-thiazol-3-one Traditional Name: 2-(1-octyldecyl)-4-isothiazolin-3-one Formula: C21H39NOS MolecularWeight: 353.60546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)N1C(=O)C=CS1

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)N1C(=O)C=CS1

InChI

InChI=1S/C21H39NOS/c1-3-5-7-9-11-13-15-17-20(22-21(23)18-19-24-22)16-14-12-10-8-6-4-2/h18-20H,3-17H2,1-2H3