2-[4-[7-(carboxymethyloxy)-3-methyl-4-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]nonyl]-2,4-dihydrochromen-3-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[7-(carboxymethyloxy)-3-methyl-4-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]nonyl]-2,4-dihydrochromen-3-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[7-(carboxymethyloxy)-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]chroman-3-yl]phenoxy]acetic acid CAS Name: 2-[4-[7-(carboxymethyloxy)-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-3,4-dihydro-2H-1-benzopyran-3-yl]phenoxy]acetic acid IUPAC Name: 2-[4-[7-(carboxymethyloxy)-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-2,4-dihydrochromen-3-yl]phenoxy]acetic acid Traditional Name: 2-[4-[7-(carboxymethyloxy)-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]chroman-3-yl]phenoxy]acetic acid Formula: C34H43F5O8S MolecularWeight: 706.757436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C1CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)C=CC(=C2)OCC(=O)O)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

CC1(COC2=C(C1CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)C=CC(=C2)OCC(=O)O)C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C34H43F5O8S/c1-32(24-11-13-25(14-12-24)45-21-30(40)41)23-47-29-20-26(46-22-31(42)43)15-16-27(29)28(32)10-7-5-3-2-4-6-8-18-48(44)19-9-17-33(35,36)34(37,38)39/h11-16,20,28H,2-10,17-19,21-23H2,1H3,(H,40,41)(H,42,43)