5-[3-(2-fluoranyl-4-methylsulfonyl-phenoxy)phenyl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-[3-(2-fluoranyl-4-methylsulfonyl-phenoxy)phenyl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-[3-(2-fluoro-4-methylsulfonyl-phenoxy)phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-[3-(2-fluoro-4-methylsulfonylphenoxy)phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-[3-(2-fluoro-4-methylsulfonylphenoxy)phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-[3-(2-fluoro-4-mesyl-phenoxy)phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C22H21FO6S MolecularWeight: 432.461943

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)F)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)F)O

InChI

InChI=1S/C22H21FO6S/c1-3-18(24)22-19(25)10-14(11-20(22)26)13-5-4-6-15(9-13)29-21-8-7-16(12-17(21)23)30(2,27)28/h4-9,12,14,24H,3,10-11H2,1-2H3