benzene; 16-[(E)-1-diphenylphosphanyl-2-(4-methylphenyl)-2-oxidanyl-ethenyl]sulfonyloxyhexadecyl-trimethyl-azanium; nickel(2+); triphenylphosphane

Systemtic Name: benzene; 16-[(E)-1-diphenylphosphanyl-2-(4-methylphenyl)-2-oxidanyl-ethenyl]sulfonyloxyhexadecyl-trimethyl-azanium; nickel(2+); triphenylphosphane Openeye Name: nickelous; benzene; 16-[(E)-1-diphenylphosphanyl-2-hydroxy-2-(p-tolyl)vinyl]sulfonyloxyhexadecyl-trimethyl-ammonium; triphenylphosphane CAS Name: benzene; 16-[(E)-1-diphenylphosphino-2-hydroxy-2-(4-methylphenyl)ethenyl]sulfonyloxyhexadecyl-trimethylammonium; nickel(2+); triphenylphosphine IUPAC Name: benzene; 16-[(E)-1-diphenylphosphanyl-2-hydroxy-2-(4-methylphenyl)ethenyl]sulfonyloxyhexadecyl-trimethylazanium; nickel(2+); triphenylphosphane Traditional Name: nickelous; benzene; 16-[(E)-1-diphenylphosphino-2-hydroxy-2-(p-tolyl)vinyl]sulfonyloxyhexadecyl-trimethyl-ammonium; triphenylphosphine Formula: C64H79NNiO4P2S+2 MolecularWeight: 1079.022282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(P(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)OCCCCCCCCCCCCCCCC[N+](C)(C)C)O.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C(/P(C2=CC=CC=C2)C3=CC=CC=C3)\S(=O)(=O)OCCCCCCCCCCCCCCCC[N+](C)(C)C)/O.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C40H58NO4PS.C18H15P.C6H5.Ni/c1-35-29-31-36(32-30-35)39(42)40(46(37-25-19-17-20-26-37)38-27-21-18-22-28-38)47(43,44)45-34-24-16-14-12-10-8-6-5-7-9-11-13-15-23-33-41(2,3)4;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h17-22,25-32H,5-16,23-24,33-34H2,1-4H3;1-15H;1-5H;/q;;-1;+2/p+1/b40-39+;;;