methyl 3,4,5-tris[[4-[4-[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecakis(fluoranyl)tridecoxy]phenyl]phenyl]methoxymethyl]benzoate

Systemtic Name: methyl 3,4,5-tris[[4-[4-[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecakis(fluoranyl)tridecoxy]phenyl]phenyl]methoxymethyl]benzoate Openeye Name: methyl 3,4,5-tris[[4-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluorotridecoxy)phenyl]phenyl]methoxymethyl]benzoate CAS Name: 3,4,5-tris[[4-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluorotridecoxy)phenyl]phenyl]methoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3,4,5-tris[[4-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluorotridecoxy)phenyl]phenyl]methoxymethyl]benzoate Traditional Name: 3,4,5-tris[[4-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-nonadecafluorotridecoxy)phenyl]benzyl]oxymethyl]benzoic acid methyl ester Formula: C89H65F57O8 MolecularWeight: 2345.372582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)COCC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC(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)(F)F)COCC4=CC=C(C=C4)C5=CC=C(C=C5)OCCCCC(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)(F)F)COCC6=CC=C(C=C6)C7=CC=C(C=C7)OCCCCC(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)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)COCC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC(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)(F)F)COCC4=CC=C(C=C4)C5=CC=C(C=C5)OCCCCC(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)(F)F)COCC6=CC=C(C=C6)C7=CC=C(C=C7)OCCCCC(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)(F)F

InChI

InChI=1S/C89H65F57O8/c1-148-62(147)55-38-56(43-149-40-46-8-14-49(15-9-46)52-20-26-58(27-21-52)152-35-5-2-32-63(90,91)66(96,97)69(102,103)72(108,109)75(114,115)78(120,121)81(126,127)84(132,133)87(138,139)140)61(45-151-42-48-12-18-51(19-13-48)54-24-30-60(31-25-54)154-37-7-4-34-65(94,95)68(100,101)71(106,107)74(112,113)77(118,119)80(124,125)83(130,131)86(136,137)89(144,145)146)57(39-55)44-150-41-47-10-16-50(17-11-47)53-22-28-59(29-23-53)153-36-6-3-33-64(92,93)67(98,99)70(104,105)73(110,111)76(116,117)79(122,123)82(128,129)85(134,135)88(141,142)143/h8-31,38-39H,2-7,32-37,40-45H2,1H3