(1Z,5Z)-cycloocta-1,5-diene; nickel(2+); triphenylphosphane

Systemtic Name: (1Z,5Z)-cycloocta-1,5-diene; nickel(2+); triphenylphosphane Openeye Name: nickelous; (1Z,5Z)-cycloocta-1,5-diene; triphenylphosphane CAS Name: (1Z,5Z)-cycloocta-1,5-diene; nickel(2+); triphenylphosphine IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene; nickel(2+); triphenylphosphane Traditional Name: nickelous; (1Z,5Z)-cycloocta-1,5-diene; triphenylphosphine Formula: C88H84NiP4+2 MolecularWeight: 1324.197004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CCCC=C1.C1CC=CCCC=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/4C18H15P.2C8H12.Ni/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-6-8-7-5-3-1;/h4*1-15H;2*1-2,7-8H,3-6H2;/q;;;;;;+2/b;;;;2*2-1-,8-7-;