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

Systemtic Name: 2-[2-chloranyl-3-(cyclopentylmethoxy)-4-ethylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(cyclopentylmethoxy)-4-ethylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(cyclopentylmethoxy)-4-ethylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(cyclopentylmethoxy)-4-ethylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-3-(cyclopentylmethoxy)-4-esyl-benzoyl]cyclohexane-1,3-quinone Formula: C21H25ClO6S MolecularWeight: 440.9376

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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)OCC3CCCC3

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OCC3CCCC3

InChI

InChI=1S/C21H25ClO6S/c1-2-29(26,27)17-11-10-14(20(25)18-15(23)8-5-9-16(18)24)19(22)21(17)28-12-13-6-3-4-7-13/h10-11,13,18H,2-9,12H2,1H3