2-[[2,6-bis[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl]phenyl]phenyl]iminomethyl]-4,6-bis(iodanyl)phenolate; carbanide; nickel(2+); pyridine

Systemtic Name: 2-[[2,6-bis[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl]phenyl]phenyl]iminomethyl]-4,6-bis(iodanyl)phenolate; carbanide; nickel(2+); pyridine Openeye Name: nickelous; 2-[[2,6-bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]phenyl]iminomethyl]-4,6-diiodo-phenolate; carbanide; pyridine CAS Name: 2-[[2,6-bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]phenyl]iminomethyl]-4,6-diiodophenolate; carbanide; nickel(2+); pyridine IUPAC Name: 2-[[2,6-bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]phenyl]iminomethyl]-4,6-diiodophenolate; carbanide; nickel(2+); pyridine Traditional Name: nickelous; 2-[[2,6-bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]phenyl]iminomethyl]-4,6-diiodo-phenolate; carbanide; pyridine Formula: C47H22F34I2N2NiO MolecularWeight: 1589.138429

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].C1=CC=NC=C1.C1=CC(=C(C(=C1)C2=CC=C(C=C2)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)N=CC3=CC(=CC(=C3[O-])I)I)C4=CC=C(C=C4)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.[Ni+2]

Isomeric SMILES

[CH3-].C1=CC=NC=C1.C1=CC(=C(C(=C1)C2=CC=C(C=C2)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)N=CC3=CC(=CC(=C3[O-])I)I)C4=CC=C(C=C4)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.[Ni+2]

InChI

InChI=1S/C41H15F34I2NO.C5H5N.CH3.Ni/c42-26(43,28(46,47)30(50,51)32(54,55)34(58,59)36(62,63)38(66,67)40(70,71)72)18-8-4-15(5-9-18)21-2-1-3-22(24(21)78-14-17-12-20(76)13-23(77)25(17)79)16-6-10-19(11-7-16)27(44,45)29(48,49)31(52,53)33(56,57)35(60,61)37(64,65)39(68,69)41(73,74)75;1-2-4-6-5-3-1;;/h1-14,79H;1-5H;1H3;/q;;-1;+2/p-1