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

Systemtic Name: 2-[2-chloranyl-4-methylsulfonyl-3-(phenoxymethyl)phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-4-methylsulfonyl-3-(phenoxymethyl)benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-4-methylsulfonyl-3-(phenoxymethyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-4-methylsulfonyl-3-(phenoxymethyl)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-3-(phenoxymethyl)benzoyl]cyclohexane-1,3-quinone Formula: C21H19ClO6S MolecularWeight: 434.88996

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COC3=CC=CC=C3

InChI

InChI=1S/C21H19ClO6S/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/h2-4,6-7,10-11,19H,5,8-9,12H2,1H3