tris[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl]-4-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)octanoyl]phenyl] phosphite

Systemtic Name: tris[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl]-4-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)octanoyl]phenyl] phosphite Openeye Name: tris[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)phenyl] phosphite CAS Name: phosphorous acid tris[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-oxooctyl)phenyl] ester IUPAC Name: tris[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)phenyl] phosphite Traditional Name: phosphorous acid tris[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)phenyl] ester Formula: C66H9F96O6P MolecularWeight: 2752.594528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP(OC2=C(C=C(C=C2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC3=C(C=C(C=C3)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP(OC2=C(C=C(C=C2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC3=C(C=C(C=C3)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C66H9F96O6P/c67-22(68,28(79,80)34(91,92)40(103,104)46(115,116)52(127,128)58(139,140)64(154,155)156)13-7-10(19(163)25(73,74)31(85,86)37(97,98)43(109,110)49(121,122)55(133,134)61(145,146)147)1-4-16(13)166-169(167-17-5-2-11(20(164)26(75,76)32(87,88)38(99,100)44(111,112)50(123,124)56(135,136)62(148,149)150)8-14(17)23(69,70)29(81,82)35(93,94)41(105,106)47(117,118)53(129,130)59(141,142)65(157,158)159)168-18-6-3-12(21(165)27(77,78)33(89,90)39(101,102)45(113,114)51(125,126)57(137,138)63(151,152)153)9-15(18)24(71,72)30(83,84)36(95,96)42(107,108)48(119,120)54(131,132)60(143,144)66(160,161)162/h1-9H