1,2,3,4,5,6-hexakis[2,3,4,5,8-pentakis(fluoranyl)octoxy]triphenylene

Systemtic Name: 1,2,3,4,5,6-hexakis[2,3,4,5,8-pentakis(fluoranyl)octoxy]triphenylene Openeye Name: 1,2,3,4,5,6-hexakis(2,3,4,5,8-pentafluorooctoxy)triphenylene CAS Name: 1,2,3,4,5,6-hexakis(2,3,4,5,8-pentafluorooctoxy)triphenylene IUPAC Name: 1,2,3,4,5,6-hexakis(2,3,4,5,8-pentafluorooctoxy)triphenylene Traditional Name: 1,2,3,4,5,6-hexakis(2,3,4,5,8-pentafluorooctoxy)triphenylene Formula: C66H78F30O6 MolecularWeight: 1537.274016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C4=C2C(=C(C(=C4OCC(C(C(C(CCCF)F)F)F)F)OCC(C(C(C(CCCF)F)F)F)F)OCC(C(C(C(CCCF)F)F)F)F)OCC(C(C(C(CCCF)F)F)F)F)C(=C(C=C3)OCC(C(C(C(CCCF)F)F)F)F)OCC(C(C(C(CCCF)F)F)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C4=C2C(=C(C(=C4OCC(C(C(C(CCCF)F)F)F)F)OCC(C(C(C(CCCF)F)F)F)F)OCC(C(C(C(CCCF)F)F)F)F)OCC(C(C(C(CCCF)F)F)F)F)C(=C(C=C3)OCC(C(C(C(CCCF)F)F)F)F)OCC(C(C(C(CCCF)F)F)F)F

InChI

InChI=1S/C66H78F30O6/c67-19-3-11-34(73)50(85)56(91)40(79)25-97-46-18-17-33-31-9-1-2-10-32(31)48-49(47(33)62(46)98-26-41(80)57(92)51(86)35(74)12-4-20-68)64(100-28-43(82)59(94)53(88)37(76)14-6-22-70)66(102-30-45(84)61(96)55(90)39(78)16-8-24-72)65(101-29-44(83)60(95)54(89)38(77)15-7-23-71)63(48)99-27-42(81)58(93)52(87)36(75)13-5-21-69/h1-2,9-10,17-18,34-45,50-61H,3-8,11-16,19-30H2