1,3-bis[[4-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]phenyl]sulfanylmethyl]benzene

Systemtic Name: 1,3-bis[[4-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]phenyl]sulfanylmethyl]benzene Openeye Name: 1,3-bis[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]sulfanylmethyl]benzene CAS Name: 1,3-bis[[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]thio]methyl]benzene IUPAC Name: 1,3-bis[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]sulfanylmethyl]benzene Traditional Name: 1,3-bis[[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]thio]methyl]benzene Formula: C32H16F26S2 MolecularWeight: 958.557923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CSC3=CC=C(C=C3)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CSC3=CC=C(C=C3)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C32H16F26S2/c33-21(34,23(37,38)25(41,42)27(45,46)29(49,50)31(53,54)55)17-4-8-19(9-5-17)59-13-15-2-1-3-16(12-15)14-60-20-10-6-18(7-11-20)22(35,36)24(39,40)26(43,44)28(47,48)30(51,52)32(56,57)58/h1-12H,13-14H2