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

Systemtic Name: 10-[3-(4-hydroxyphenyl)-7-oxidanyl-3-propyl-2,4-dihydrothiochromen-4-yl]-2-[4,4,5,5,5-pentakis(fluoranyl)pentyl]decanoic acid Openeye Name: 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-propyl-thiochroman-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid CAS Name: 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-propyl-2,4-dihydro-1-benzothiopyran-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid IUPAC Name: 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-propyl-2,4-dihydrothiochromen-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid Traditional Name: 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-propyl-thiochroman-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)capric acid Formula: C33H43F5O4S MolecularWeight: 630.749136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(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

CCCC1(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/C33H43F5O4S/c1-2-19-31(24-13-15-25(39)16-14-24)22-43-29-21-26(40)17-18-27(29)28(31)12-8-6-4-3-5-7-10-23(30(41)42)11-9-20-32(34,35)33(36,37)38/h13-18,21,23,28,39-40H,2-12,19-20,22H2,1H3,(H,41,42)