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

Systemtic Name: 5-[3-(2-fluoranyl-4-methylsulfanyl-phenyl)phenyl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-[3-(2-fluoro-4-methylsulfanyl-phenyl)phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-[3-[2-fluoro-4-(methylthio)phenyl]phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-[3-(2-fluoro-4-methylsulfanylphenyl)phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-[3-[2-fluoro-4-(methylthio)phenyl]phenyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C22H21FO3S MolecularWeight: 384.463743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FO3S/c1-3-19(24)22-20(25)10-15(11-21(22)26)13-5-4-6-14(9-13)17-8-7-16(27-2)12-18(17)23/h4-9,12,15,24H,3,10-11H2,1-2H3