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

Systemtic Name: 2-[2-chloranyl-3-[2-(2-methoxyethoxy)ethoxymethyl]-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-[2-(2-methoxyethoxy)ethoxymethyl]-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-[2-(2-methoxyethoxy)ethoxymethyl]-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-[2-(2-methoxyethoxy)ethoxymethyl]-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-3-[2-(2-methoxyethoxy)ethoxymethyl]benzoyl]cyclohexane-1,3-quinone Formula: C20H25ClO8S MolecularWeight: 460.9257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOCC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCC2=O)S(=O)(=O)C

Isomeric SMILES

COCCOCCOCC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCC2=O)S(=O)(=O)C

InChI

InChI=1S/C20H25ClO8S/c1-27-8-9-28-10-11-29-12-14-17(30(2,25)26)7-6-13(19(14)21)20(24)18-15(22)4-3-5-16(18)23/h6-7,18H,3-5,8-12H2,1-2H3