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

Systemtic Name: 2-decyl-1,2-thiazol-3-one; 2-octadecan-9-yl-1,2-thiazol-3-one Openeye Name: 2-decylisothiazol-3-one; 2-(1-octyldecyl)isothiazol-3-one CAS Name: 2-decyl-3-isothiazolone; 2-octadecan-9-yl-3-isothiazolone IUPAC Name: 2-decyl-1,2-thiazol-3-one; 2-octadecan-9-yl-1,2-thiazol-3-one Traditional Name: 2-decyl-4-isothiazolin-3-one; 2-(1-octyldecyl)-4-isothiazolin-3-one Formula: C34H62N2O2S2 MolecularWeight: 594.99828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=O)C=CS1.CCCCCCCCCC(CCCCCCCC)N1C(=O)C=CS1

Isomeric SMILES

CCCCCCCCCCN1C(=O)C=CS1.CCCCCCCCCC(CCCCCCCC)N1C(=O)C=CS1

InChI

InChI=1S/C21H39NOS.C13H23NOS/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;1-2-3-4-5-6-7-8-9-11-14-13(15)10-12-16-14/h18-20H,3-17H2,1-2H3;10,12H,2-9,11H2,1H3