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

Systemtic Name: 2-(2-chloranyl-3-ethoxy-4-ethylsulfonyl-phenyl)carbonyl-4-methyl-cyclohexane-1,3-dione Openeye Name: 2-(2-chloro-3-ethoxy-4-ethylsulfonyl-benzoyl)-4-methyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-3-ethoxy-4-ethylsulfonylphenyl)-oxomethyl]-4-methylcyclohexane-1,3-dione IUPAC Name: 2-(2-chloro-3-ethoxy-4-ethylsulfonylbenzoyl)-4-methylcyclohexane-1,3-dione Traditional Name: 2-(2-chloro-4-esyl-3-ethoxy-benzoyl)-4-methyl-cyclohexane-1,3-quinone Formula: C18H21ClO6S MolecularWeight: 400.87374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCC(C2=O)C)S(=O)(=O)CC

Isomeric SMILES

CCOC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCC(C2=O)C)S(=O)(=O)CC

InChI

InChI=1S/C18H21ClO6S/c1-4-25-18-13(26(23,24)5-2)9-7-11(15(18)19)17(22)14-12(20)8-6-10(3)16(14)21/h7,9-10,14H,4-6,8H2,1-3H3