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

Systemtic Name: 2-[2-chloranyl-3-(1,4-dioxan-2-ylmethoxymethyl)-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(1,4-dioxan-2-ylmethoxymethyl)-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(1,4-dioxan-2-ylmethoxymethyl)-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(1,4-dioxan-2-ylmethoxymethyl)-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-3-(1,4-dioxan-2-ylmethoxymethyl)-4-mesyl-benzoyl]cyclohexane-1,3-quinone Formula: C20H23ClO8S MolecularWeight: 458.90982

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)COCC3COCCO3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC3COCCO3

InChI

InChI=1S/C20H23ClO8S/c1-30(25,26)17-6-5-13(20(24)18-15(22)3-2-4-16(18)23)19(21)14(17)11-28-10-12-9-27-7-8-29-12/h5-6,12,18H,2-4,7-11H2,1H3