5-chloranyl-2-(2-oxidanylhexyl)-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-(2-oxidanylhexyl)-1,2-thiazol-3-one Openeye Name: 5-chloro-2-(2-hydroxyhexyl)isothiazol-3-one CAS Name: 5-chloro-2-(2-hydroxyhexyl)-3-isothiazolone IUPAC Name: 5-chloro-2-(2-hydroxyhexyl)-1,2-thiazol-3-one Traditional Name: 5-chloro-2-(2-hydroxyhexyl)-4-isothiazolin-3-one Formula: C9H14ClNO2S MolecularWeight: 235.73096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C(=O)C=C(S1)Cl)O

Isomeric SMILES

CCCCC(CN1C(=O)C=C(S1)Cl)O

InChI

InChI=1S/C9H14ClNO2S/c1-2-3-4-7(12)6-11-9(13)5-8(10)14-11/h5,7,12H,2-4,6H2,1H3