methylbenzene; nickel; pyridine-2-carboxylic acid; tricyclohexylphosphane

Systemtic Name: methylbenzene; nickel; pyridine-2-carboxylic acid; tricyclohexylphosphane Openeye Name: methylbenzene; nickel; pyridine-2-carboxylic acid; tricyclohexylphosphane CAS Name: methylbenzene; nickel; 2-pyridinecarboxylic acid; tricyclohexylphosphine IUPAC Name: methylbenzene; nickel; pyridine-2-carboxylic acid; tricyclohexylphosphane Traditional Name: methylbenzene; nickel; picolinic acid; tricyclohexylphosphine Formula: C31H45NNiO2P- MolecularWeight: 553.361661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[C-]1.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1=CC=NC(=C1)C(=O)O.[Ni]

Isomeric SMILES

CC1=CC=CC=[C-]1.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1=CC=NC(=C1)C(=O)O.[Ni]

InChI

InChI=1S/C18H33P.C7H7.C6H5NO2.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;8-6(9)5-3-1-2-4-7-5;/h16-18H,1-15H2;2-5H,1H3;1-4H,(H,8,9);/q;-1;;