2-[2-bromanyl-4-ethylsulfonyl-3-(2-methoxyethoxy)phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-bromanyl-4-ethylsulfonyl-3-(2-methoxyethoxy)phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-bromo-4-ethylsulfonyl-3-(2-methoxyethoxy)benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-bromo-4-ethylsulfonyl-3-(2-methoxyethoxy)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-bromo-4-ethylsulfonyl-3-(2-methoxyethoxy)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-bromo-4-esyl-3-(2-methoxyethoxy)benzoyl]cyclohexane-1,3-quinone Formula: C18H21BrO7S MolecularWeight: 461.32414

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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)Br)OCCOC

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Br)OCCOC

InChI

InChI=1S/C18H21BrO7S/c1-3-27(23,24)14-8-7-11(16(19)18(14)26-10-9-25-2)17(22)15-12(20)5-4-6-13(15)21/h7-8,15H,3-6,9-10H2,1-2H3