4-[3-[(4-fluoranyl-3-methyl-phenoxy)methylsulfonyl]phenyl]-2-propyl-2H-furan-5-one

Systemtic Name: 4-[3-[(4-fluoranyl-3-methyl-phenoxy)methylsulfonyl]phenyl]-2-propyl-2H-furan-5-one Openeye Name: 4-[3-[(4-fluoro-3-methyl-phenoxy)methylsulfonyl]phenyl]-2-propyl-2H-furan-5-one CAS Name: 4-[3-[(4-fluoro-3-methylphenoxy)methylsulfonyl]phenyl]-2-propyl-2H-furan-5-one IUPAC Name: 4-[3-[(4-fluoro-3-methylphenoxy)methylsulfonyl]phenyl]-2-propyl-2H-furan-5-one Traditional Name: 4-[3-[(4-fluoro-3-methyl-phenoxy)methylsulfonyl]phenyl]-2-propyl-2H-furan-5-one Formula: C21H21FO5S MolecularWeight: 404.451843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C=C(C(=O)O1)C2=CC(=CC=C2)S(=O)(=O)COC3=CC(=C(C=C3)F)C

Isomeric SMILES

CCCC1C=C(C(=O)O1)C2=CC(=CC=C2)S(=O)(=O)COC3=CC(=C(C=C3)F)C

InChI

InChI=1S/C21H21FO5S/c1-3-5-17-12-19(21(23)27-17)15-6-4-7-18(11-15)28(24,25)13-26-16-8-9-20(22)14(2)10-16/h4,6-12,17H,3,5,13H2,1-2H3