4-[3-methyl-4-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]nonyl]-2,4-dihydrothiochromen-3-yl]phenol

Systemtic Name: 4-[3-methyl-4-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]nonyl]-2,4-dihydrothiochromen-3-yl]phenol Openeye Name: 4-[3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]thiochroman-3-yl]phenol CAS Name: 4-[3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-2,4-dihydro-1-benzothiopyran-3-yl]phenol IUPAC Name: 4-[3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-2,4-dihydrothiochromen-3-yl]phenol Traditional Name: 4-[3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]thiochroman-3-yl]phenol Formula: C30H39F5O2S2 MolecularWeight: 590.751476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2C1CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=CC=CC=C2C1CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)C3=CC=C(C=C3)O

InChI

InChI=1S/C30H39F5O2S2/c1-28(23-15-17-24(36)18-16-23)22-38-27-14-9-8-12-25(27)26(28)13-7-5-3-2-4-6-10-20-39(37)21-11-19-29(31,32)30(33,34)35/h8-9,12,14-18,26,36H,2-7,10-11,13,19-22H2,1H3