benzene; 3-[2,6-di(propan-2-yl)phenyl]imino-4-oxidanylidene-naphthalen-1-olate; nickel(2+); triphenylphosphane

Systemtic Name: benzene; 3-[2,6-di(propan-2-yl)phenyl]imino-4-oxidanylidene-naphthalen-1-olate; nickel(2+); triphenylphosphane Openeye Name: nickelous; benzene; 3-(2,6-diisopropylphenyl)imino-4-oxo-naphthalen-1-olate; triphenylphosphane CAS Name: benzene; 3-[2,6-di(propan-2-yl)phenyl]imino-4-oxo-1-naphthalenolate; nickel(2+); triphenylphosphine IUPAC Name: benzene; 3-[2,6-di(propan-2-yl)phenyl]imino-4-oxonaphthalen-1-olate; nickel(2+); triphenylphosphane Traditional Name: nickelous; benzene; 3-(2,6-diisopropylphenyl)imino-4-keto-naphthalen-1-olate; triphenylphosphine Formula: C46H42NNiO2P MolecularWeight: 730.498341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N=C2C=C(C3=CC=CC=C3C2=O)[O-].C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N=C2C=C(C3=CC=CC=C3C2=O)[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/C22H23NO2.C18H15P.C6H5.Ni/c1-13(2)15-10-7-11-16(14(3)4)21(15)23-19-12-20(24)17-8-5-6-9-18(17)22(19)25;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;/h5-14,24H,1-4H3;1-15H;1-5H;/q;;-1;+2/p-1