2-(2-chloranyl-3-ethoxy-4-ethylsulfonyl-phenyl)carbonyl-5-methyl-cyclohexane-1,3-dione; cyclohexane-1,2-dione

Systemtic Name: 2-(2-chloranyl-3-ethoxy-4-ethylsulfonyl-phenyl)carbonyl-5-methyl-cyclohexane-1,3-dione; cyclohexane-1,2-dione Openeye Name: 2-(2-chloro-3-ethoxy-4-ethylsulfonyl-benzoyl)-5-methyl-cyclohexane-1,3-dione; cyclohexane-1,2-dione CAS Name: 2-[(2-chloro-3-ethoxy-4-ethylsulfonylphenyl)-oxomethyl]-5-methylcyclohexane-1,3-dione; cyclohexane-1,2-dione IUPAC Name: 2-(2-chloro-3-ethoxy-4-ethylsulfonylbenzoyl)-5-methylcyclohexane-1,3-dione; cyclohexane-1,2-dione Traditional Name: 2-(2-chloro-4-esyl-3-ethoxy-benzoyl)-5-methyl-cyclohexane-1,3-quinone; cyclohexane-1,2-quinone Formula: C24H29ClO8S MolecularWeight: 513.00026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CC(CC2=O)C)S(=O)(=O)CC.C1CCC(=O)C(=O)C1

Isomeric SMILES

CCOC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CC(CC2=O)C)S(=O)(=O)CC.C1CCC(=O)C(=O)C1

InChI

InChI=1S/C18H21ClO6S.C6H8O2/c1-4-25-18-14(26(23,24)5-2)7-6-11(16(18)19)17(22)15-12(20)8-10(3)9-13(15)21;7-5-3-1-2-4-6(5)8/h6-7,10,15H,4-5,8-9H2,1-3H3;1-4H2