2-[(2-chloranyl-4-methylsulfonyl-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[(2-chloranyl-4-methylsulfonyl-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(2-chloro-4-methylsulfonyl-phenyl)-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[(2-chloro-4-methylsulfonylphenyl)-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[(2-chloro-4-mesyl-phenyl)-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C14H13ClO5S MolecularWeight: 328.76802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=C2C(=O)CCCC2=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=C2C(=O)CCCC2=O)O)Cl

InChI

InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,18H,2-4H2,1H3