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

Systemtic Name: 2-[2-chloranyl-3-(cyclopropylmethoxy)-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(cyclopropylmethoxy)-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(cyclopropylmethoxy)-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(cyclopropylmethoxy)-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-3-(cyclopropylmethoxy)-4-mesyl-benzoyl]cyclohexane-1,3-quinone Formula: C18H19ClO6S MolecularWeight: 398.85786

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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)OCC3CC3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OCC3CC3

InChI

InChI=1S/C18H19ClO6S/c1-26(23,24)14-8-7-11(16(19)18(14)25-9-10-5-6-10)17(22)15-12(20)3-2-4-13(15)21/h7-8,10,15H,2-6,9H2,1H3