3-[2-[2-[[2,4-bis(fluoranyl)phenyl]methoxy]-5-methylsulfinyl-phenyl]cyclopenten-1-yl]benzoic acid

Systemtic Name: 3-[2-[2-[[2,4-bis(fluoranyl)phenyl]methoxy]-5-methylsulfinyl-phenyl]cyclopenten-1-yl]benzoic acid Openeye Name: 3-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylsulfinyl-phenyl]cyclopenten-1-yl]benzoic acid CAS Name: 3-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylsulfinylphenyl]-1-cyclopentenyl]benzoic acid IUPAC Name: 3-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylsulfinylphenyl]cyclopenten-1-yl]benzoic acid Traditional Name: 3-[2-[2-(2,4-difluorobenzyl)oxy-5-methylsulfinyl-phenyl]cyclopenten-1-yl]benzoic acid Formula: C26H22F2O4S MolecularWeight: 468.512286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)F)F)C3=C(CCC3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CS(=O)C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)F)F)C3=C(CCC3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C26H22F2O4S/c1-33(31)20-10-11-25(32-15-18-8-9-19(27)13-24(18)28)23(14-20)22-7-3-6-21(22)16-4-2-5-17(12-16)26(29)30/h2,4-5,8-14H,3,6-7,15H2,1H3,(H,29,30)