methylbenzene; nickel; 4-nitropyridine-2-carboxylic acid; triphenylphosphane

Systemtic Name: methylbenzene; nickel; 4-nitropyridine-2-carboxylic acid; triphenylphosphane Openeye Name: methylbenzene; nickel; 4-nitropyridine-2-carboxylic acid; triphenylphosphane CAS Name: methylbenzene; nickel; 4-nitro-2-pyridinecarboxylic acid; triphenylphosphine IUPAC Name: methylbenzene; nickel; 4-nitropyridine-2-carboxylic acid; triphenylphosphane Traditional Name: methylbenzene; nickel; 4-nitropicolinic acid; triphenylphosphine Formula: C31H26N2NiO4P- MolecularWeight: 580.216301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[C-]1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CN=C(C=C1[N+](=O)[O-])C(=O)O.[Ni]

Isomeric SMILES

CC1=CC=CC=[C-]1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CN=C(C=C1[N+](=O)[O-])C(=O)O.[Ni]

InChI

InChI=1S/C18H15P.C7H7.C6H4N2O4.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;9-6(10)5-3-4(8(11)12)1-2-7-5;/h1-15H;2-5H,1H3;1-3H,(H,9,10);/q;-1;;