3-(4-hydroxyphenyl)-3-methyl-4-[8-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]octyl]-2,4-dihydrothiochromen-7-ol

Systemtic Name: 3-(4-hydroxyphenyl)-3-methyl-4-[8-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]octyl]-2,4-dihydrothiochromen-7-ol Openeye Name: 3-(4-hydroxyphenyl)-3-methyl-4-[8-(4,4,5,5,5-pentafluoropentylsulfinyl)octyl]thiochroman-7-ol CAS Name: 3-(4-hydroxyphenyl)-3-methyl-4-[8-(4,4,5,5,5-pentafluoropentylsulfinyl)octyl]-2,4-dihydro-1-benzothiopyran-7-ol IUPAC Name: 3-(4-hydroxyphenyl)-3-methyl-4-[8-(4,4,5,5,5-pentafluoropentylsulfinyl)octyl]-2,4-dihydrothiochromen-7-ol Traditional Name: 3-(4-hydroxyphenyl)-3-methyl-4-[8-(4,4,5,5,5-pentafluoropentylsulfinyl)octyl]thiochroman-7-ol Formula: C29H37F5O3S2 MolecularWeight: 592.724296

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C29H37F5O3S2/c1-27(21-10-12-22(35)13-11-21)20-38-26-19-23(36)14-15-24(26)25(27)9-6-4-2-3-5-7-17-39(37)18-8-16-28(30,31)29(32,33)34/h10-15,19,25,35-36H,2-9,16-18,20H2,1H3