calcium 2-octyl-1,2-thiazol-3-one chloride

Systemtic Name: calcium 2-octyl-1,2-thiazol-3-one chloride Openeye Name: calcium 2-octylisothiazol-3-one chloride CAS Name: calcium 2-octyl-3-isothiazolone chloride IUPAC Name: calcium 2-octyl-1,2-thiazol-3-one chloride Traditional Name: calcium 2-octyl-4-isothiazolin-3-one chloride Formula: C11H19CaClNOS+ MolecularWeight: 288.87066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C=CS1.[Cl-].[Ca+2]

Isomeric SMILES

CCCCCCCCN1C(=O)C=CS1.[Cl-].[Ca+2]

InChI

InChI=1S/C11H19NOS.Ca.ClH/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;;/h8,10H,2-7,9H2,1H3;;1H/q;+2;/p-1