calcium 4-bromanyl-5-chloranyl-2-methyl-1,2-thiazol-3-one chloride

Systemtic Name: calcium 4-bromanyl-5-chloranyl-2-methyl-1,2-thiazol-3-one chloride Openeye Name: calcium 4-bromo-5-chloro-2-methyl-isothiazol-3-one chloride CAS Name: calcium 4-bromo-5-chloro-2-methyl-3-isothiazolone chloride IUPAC Name: calcium 4-bromo-5-chloro-2-methyl-1,2-thiazol-3-one chloride Traditional Name: calcium 4-bromo-5-chloro-2-methyl-4-isothiazolin-3-one chloride Formula: C4H3BrCaCl2NOS+ MolecularWeight: 304.02572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H3BrClNOS.Ca.ClH/c1-7-4(8)2(5)3(6)9-7;;/h1H3;;1H/q;+2;/p-1