2-(2-chloranyl-4-ethylsulfonyl-3-methoxy-phenyl)carbonylcyclohexane-1,3-dione; N,N-diethylmethanamide

Systemtic Name: 2-(2-chloranyl-4-ethylsulfonyl-3-methoxy-phenyl)carbonylcyclohexane-1,3-dione; N,N-diethylmethanamide Openeye Name: 2-(2-chloro-4-ethylsulfonyl-3-methoxy-benzoyl)cyclohexane-1,3-dione; N,N-diethylformamide CAS Name: 2-[(2-chloro-4-ethylsulfonyl-3-methoxyphenyl)-oxomethyl]cyclohexane-1,3-dione; N,N-diethylformamide IUPAC Name: 2-(2-chloro-4-ethylsulfonyl-3-methoxybenzoyl)cyclohexane-1,3-dione; N,N-diethylformamide Traditional Name: 2-(2-chloro-4-esyl-3-methoxy-benzoyl)cyclohexane-1,3-quinone; N,N-diethylformamide Formula: C21H28ClNO7S MolecularWeight: 473.96752

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C=O.CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OC

Isomeric SMILES

CCN(CC)C=O.CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OC

InChI

InChI=1S/C16H17ClO6S.C5H11NO/c1-3-24(21,22)12-8-7-9(14(17)16(12)23-2)15(20)13-10(18)5-4-6-11(13)19;1-3-6(4-2)5-7/h7-8,13H,3-6H2,1-2H3;5H,3-4H2,1-2H3