1-(2-chloranyl-4-methylsulfonyl-phenyl)pentane-1,3-dione

Systemtic Name: 1-(2-chloranyl-4-methylsulfonyl-phenyl)pentane-1,3-dione Openeye Name: 1-(2-chloro-4-methylsulfonyl-phenyl)pentane-1,3-dione CAS Name: 1-(2-chloro-4-methylsulfonylphenyl)pentane-1,3-dione IUPAC Name: 1-(2-chloro-4-methylsulfonylphenyl)pentane-1,3-dione Traditional Name: 1-(2-chloro-4-mesyl-phenyl)pentane-1,3-dione Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)C1=C(C=C(C=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CCC(=O)CC(=O)C1=C(C=C(C=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C12H13ClO4S/c1-3-8(14)6-12(15)10-5-4-9(7-11(10)13)18(2,16)17/h4-5,7H,3,6H2,1-2H3