2-[3-[2,3-bis(bromanyl)propoxy]-2-chloranyl-4-ethylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[3-[2,3-bis(bromanyl)propoxy]-2-chloranyl-4-ethylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(2,3-dibromopropoxy)-4-ethylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(2,3-dibromopropoxy)-4-ethylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(2,3-dibromopropoxy)-4-ethylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-3-(2,3-dibromopropoxy)-4-esyl-benzoyl]cyclohexane-1,3-quinone Formula: C18H19Br2ClO6S MolecularWeight: 558.66586

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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)OCC(CBr)Br

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OCC(CBr)Br

InChI

InChI=1S/C18H19Br2ClO6S/c1-2-28(25,26)14-7-6-11(16(21)18(14)27-9-10(20)8-19)17(24)15-12(22)4-3-5-13(15)23/h6-7,10,15H,2-5,8-9H2,1H3