calcium 5-chloranyl-2-methyl-1,2-thiazol-3-one chloride

Systemtic Name: calcium 5-chloranyl-2-methyl-1,2-thiazol-3-one chloride Openeye Name: calcium 5-chloro-2-methyl-isothiazol-3-one chloride CAS Name: calcium 5-chloro-2-methyl-3-isothiazolone chloride IUPAC Name: calcium 5-chloro-2-methyl-1,2-thiazol-3-one chloride Traditional Name: calcium 5-chloro-2-methyl-4-isothiazolin-3-one chloride Formula: C4H4CaCl2NOS+ MolecularWeight: 225.12966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(S1)Cl.[Cl-].[Ca+2]

Isomeric SMILES

CN1C(=O)C=C(S1)Cl.[Cl-].[Ca+2]

InChI

InChI=1S/C4H4ClNOS.Ca.ClH/c1-6-4(7)2-3(5)8-6;;/h2H,1H3;;1H/q;+2;/p-1