2-[3-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)propanoyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[3-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)propanoyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[3-(5-chloro-3-oxo-isothiazol-2-yl)propanoyl]-1,4-benzoquinone CAS Name: 2-[3-(5-chloro-3-oxo-2-isothiazolyl)-1-oxopropyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[3-(5-chloro-3-oxo-1,2-thiazol-2-yl)propanoyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[3-(5-chloro-3-keto-4-isothiazolin-2-yl)propanoyl]-p-benzoquinone Formula: C12H8ClNO4S MolecularWeight: 297.71422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=O)C(=O)CCN2C(=O)C=C(S2)Cl

Isomeric SMILES

C1=CC(=O)C(=CC1=O)C(=O)CCN2C(=O)C=C(S2)Cl

InChI

InChI=1S/C12H8ClNO4S/c13-11-6-12(18)14(19-11)4-3-10(17)8-5-7(15)1-2-9(8)16/h1-2,5-6H,3-4H2