benzene; 7-[2,6-di(propan-2-yl)phenyl]imino-2-naphthalen-1-yl-cyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane

Systemtic Name: benzene; 7-[2,6-di(propan-2-yl)phenyl]imino-2-naphthalen-1-yl-cyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane Openeye Name: nickelous; benzene; 7-(2,6-diisopropylphenyl)imino-2-(1-naphthyl)cyclohepta-1,3,5-trien-1-olate; triphenylphosphane CAS Name: benzene; 7-[2,6-di(propan-2-yl)phenyl]imino-2-(1-naphthalenyl)-1-cyclohepta-1,3,5-trienolate; nickel(2+); triphenylphosphine IUPAC Name: benzene; 7-[2,6-di(propan-2-yl)phenyl]imino-2-naphthalen-1-ylcyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane Traditional Name: nickelous; benzene; 7-(2,6-diisopropylphenyl)imino-2-(1-naphthyl)cyclohepta-1,3,5-trien-1-olate; triphenylphosphine Formula: C53H48NNiOP MolecularWeight: 804.621481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N=C2C=CC=CC(=C2[O-])C3=CC=CC4=CC=CC=C43.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=CC=CC(=C2[O-])C3=CC=CC4=CC=CC=C43.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C29H29NO.C18H15P.C6H5.Ni/c1-19(2)22-15-10-16-23(20(3)4)28(22)30-27-18-8-7-14-26(29(27)31)25-17-9-12-21-11-5-6-13-24(21)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;/h5-20H,1-4H3,(H,30,31);1-15H;1-5H;/q;;-1;+2/p-1