2-[2-chloranyl-3-(cyclohexyloxymethyl)-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-chloranyl-3-(cyclohexyloxymethyl)-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(cyclohexoxymethyl)-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(cyclohexyloxymethyl)-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(cyclohexyloxymethyl)-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-3-(cyclohexoxymethyl)-4-mesyl-benzoyl]cyclohexane-1,3-quinone Formula: C21H25ClO6S MolecularWeight: 440.9376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COC3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COC3CCCCC3

InChI

InChI=1S/C21H25ClO6S/c1-29(26,27)18-11-10-14(21(25)19-16(23)8-5-9-17(19)24)20(22)15(18)12-28-13-6-3-2-4-7-13/h10-11,13,19H,2-9,12H2,1H3