10-[3-ethyl-3-(4-hydroxyphenyl)-7-oxidanyl-2,4-dihydrothiochromen-4-yl]-2-[4,4,5,5,5-pentakis(fluoranyl)pentyl]decanoic acid

Systemtic Name: 10-[3-ethyl-3-(4-hydroxyphenyl)-7-oxidanyl-2,4-dihydrothiochromen-4-yl]-2-[4,4,5,5,5-pentakis(fluoranyl)pentyl]decanoic acid Openeye Name: 10-[3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid CAS Name: 10-[3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)-2,4-dihydro-1-benzothiopyran-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid IUPAC Name: 10-[3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)-2,4-dihydrothiochromen-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid Traditional Name: 10-[3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)capric acid Formula: C32H41F5O4S MolecularWeight: 616.722556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CSC2=C(C1CCCCCCCCC(CCCC(C(F)(F)F)(F)F)C(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CCC1(CSC2=C(C1CCCCCCCCC(CCCC(C(F)(F)F)(F)F)C(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C32H41F5O4S/c1-2-30(23-13-15-24(38)16-14-23)21-42-28-20-25(39)17-18-26(28)27(30)12-8-6-4-3-5-7-10-22(29(40)41)11-9-19-31(33,34)32(35,36)37/h13-18,20,22,27,38-39H,2-12,19,21H2,1H3,(H,40,41)