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

Systemtic Name: 2-[[3-(4-hydroxyphenyl)-3-methyl-4-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]nonyl]-2,4-dihydrochromen-7-yl]oxy]ethanoic acid Openeye Name: 2-[3-(4-hydroxyphenyl)-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]chroman-7-yl]oxyacetic acid CAS Name: 2-[[3-(4-hydroxyphenyl)-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[[3-(4-hydroxyphenyl)-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-2,4-dihydrochromen-7-yl]oxy]acetic acid Traditional Name: 2-[3-(4-hydroxyphenyl)-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]chroman-7-yl]oxyacetic acid Formula: C32H41F5O6S MolecularWeight: 648.721356

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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)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)O

InChI

InChI=1S/C32H41F5O6S/c1-30(23-11-13-24(38)14-12-23)22-43-28-20-25(42-21-29(39)40)15-16-26(28)27(30)10-7-5-3-2-4-6-8-18-44(41)19-9-17-31(33,34)32(35,36)37/h11-16,20,27,38H,2-10,17-19,21-22H2,1H3,(H,39,40)