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

Systemtic Name: 2-[2-chloranyl-3-(cyclopropylmethoxy)-4-ethylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(cyclopropylmethoxy)-4-ethylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(cyclopropylmethoxy)-4-ethylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(cyclopropylmethoxy)-4-ethylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-3-(cyclopropylmethoxy)-4-esyl-benzoyl]cyclohexane-1,3-quinone Formula: C19H21ClO6S MolecularWeight: 412.88444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClO6S/c1-2-27(24,25)15-9-8-12(17(20)19(15)26-10-11-6-7-11)18(23)16-13(21)4-3-5-14(16)22/h8-9,11,16H,2-7,10H2,1H3