(E)-1-cyano-1-(3,4-dihydro-2H-pyrrol-5-yl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecakis(fluoranyl)non-1-en-2-olate; methylbenzene; nickel(2+); triphenylphosphane

Systemtic Name: (E)-1-cyano-1-(3,4-dihydro-2H-pyrrol-5-yl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecakis(fluoranyl)non-1-en-2-olate; methylbenzene; nickel(2+); triphenylphosphane Openeye Name: nickelous; (E)-1-cyano-1-(3,4-dihydro-2H-pyrrol-5-yl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-non-1-en-2-olate; methylbenzene; triphenylphosphane CAS Name: (E)-1-cyano-1-(3,4-dihydro-2H-pyrrol-5-yl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-1-nonen-2-olate; methylbenzene; nickel(2+); triphenylphosphine IUPAC Name: (E)-1-cyano-1-(3,4-dihydro-2H-pyrrol-5-yl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-en-2-olate; methylbenzene; nickel(2+); triphenylphosphane Traditional Name: nickelous; (E)-1-cyano-3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-1-(1-pyrrolin-2-yl)non-1-en-2-olate; methylbenzene; triphenylphosphine Formula: C39H28F15N2NiOP MolecularWeight: 915.295629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[C-]=CC=C1.C1CC(=NC1)C(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-])C#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

CC1=C[C-]=CC=C1.C1CC(=NC1)/C(=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\[O-])/C#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C18H15P.C14H7F15N2O.C7H7.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-8(16,7(32)5(4-30)6-2-1-3-31-6)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29;1-7-5-3-2-4-6-7;/h1-15H;32H,1-3H2;2-3,5-6H,1H3;/q;;-1;+2/p-1/b;7-5-;;