dicalcium; 5-chloranyl-2-methyl-1,2-thiazol-3-one; 2-methyl-1,2-thiazol-3-one; tetrachloride

Systemtic Name: dicalcium; 5-chloranyl-2-methyl-1,2-thiazol-3-one; 2-methyl-1,2-thiazol-3-one; tetrachloride Openeye Name: dicalcium; 5-chloro-2-methyl-isothiazol-3-one; 2-methylisothiazol-3-one; tetrachloride CAS Name: dicalcium; 5-chloro-2-methyl-3-isothiazolone; 2-methyl-3-isothiazolone; tetrachloride IUPAC Name: dicalcium; 5-chloro-2-methyl-1,2-thiazol-3-one; 2-methyl-1,2-thiazol-3-one; tetrachloride Traditional Name: dicalcium; 5-chloro-2-methyl-4-isothiazolin-3-one; 2-methyl-4-isothiazolin-3-one; tetrachloride Formula: C8H9Ca2Cl5N2O2S2 MolecularWeight: 486.72026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CS1.CN1C(=O)C=C(S1)Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Ca+2].[Ca+2]

Isomeric SMILES

CN1C(=O)C=CS1.CN1C(=O)C=C(S1)Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Ca+2].[Ca+2]

InChI

InChI=1S/C4H4ClNOS.C4H5NOS.2Ca.4ClH/c1-6-4(7)2-3(5)8-6;1-5-4(6)2-3-7-5;;;;;;/h2H,1H3;2-3H,1H3;;;4*1H/q;;2*+2;;;;/p-4