hexadecyl 4,5-bis(chloranyl)-1,2-thiazole-3-carboxylate

Systemtic Name: hexadecyl 4,5-bis(chloranyl)-1,2-thiazole-3-carboxylate Openeye Name: hexadecyl 4,5-dichloroisothiazole-3-carboxylate CAS Name: 4,5-dichloro-3-isothiazolecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 4,5-dichloro-1,2-thiazole-3-carboxylate Traditional Name: 4,5-dichloroisothiazole-3-carboxylic acid cetyl ester Formula: C20H33Cl2NO2S MolecularWeight: 422.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=NSC(=C1Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=NSC(=C1Cl)Cl

InChI

InChI=1S/C20H33Cl2NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-20(24)18-17(21)19(22)26-23-18/h2-16H2,1H3