2-(2-chloranyl-3-ethoxy-4-methylsulfonyl-phenyl)carbonyl-5-methyl-cyclohexane-1,3-dione

Systemtic Name: 2-(2-chloranyl-3-ethoxy-4-methylsulfonyl-phenyl)carbonyl-5-methyl-cyclohexane-1,3-dione Openeye Name: 2-(2-chloro-3-ethoxy-4-methylsulfonyl-benzoyl)-5-methyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-3-ethoxy-4-methylsulfonylphenyl)-oxomethyl]-5-methylcyclohexane-1,3-dione IUPAC Name: 2-(2-chloro-3-ethoxy-4-methylsulfonylbenzoyl)-5-methylcyclohexane-1,3-dione Traditional Name: 2-(2-chloro-3-ethoxy-4-mesyl-benzoyl)-5-methyl-cyclohexane-1,3-quinone Formula: C17H19ClO6S MolecularWeight: 386.84716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CC(CC2=O)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CC(CC2=O)C)S(=O)(=O)C

InChI

InChI=1S/C17H19ClO6S/c1-4-24-17-13(25(3,22)23)6-5-10(15(17)18)16(21)14-11(19)7-9(2)8-12(14)20/h5-6,9,14H,4,7-8H2,1-3H3