benzene; (2-tert-butylphenyl)-[(E)-pyrrol-2-ylidenemethyl]azanide; nickel(2+); triphenylphosphane

Systemtic Name: benzene; (2-tert-butylphenyl)-[(E)-pyrrol-2-ylidenemethyl]azanide; nickel(2+); triphenylphosphane Openeye Name: nickelous; benzene; (2-tert-butylphenyl)-[(E)-pyrrol-2-ylidenemethyl]azanide; triphenylphosphane CAS Name: benzene; (2-tert-butylphenyl)-[(E)-2-pyrrolylidenemethyl]azanide; nickel(2+); triphenylphosphine IUPAC Name: benzene; (2-tert-butylphenyl)-[(E)-pyrrol-2-ylidenemethyl]azanide; nickel(2+); triphenylphosphane Traditional Name: nickelous; benzene; (2-tert-butylphenyl)-[(E)-pyrrol-2-ylidenemethyl]azanide; triphenylphosphine Formula: C39H37N2NiP MolecularWeight: 623.391641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1[N-]C=C2C=CC=N2.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)(C)C1=CC=CC=C1[N-]/C=C/2\C=CC=N2.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C18H15P.C15H17N2.C6H5.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)13-8-4-5-9-14(13)17-11-12-7-6-10-16-12;1-2-4-6-5-3-1;/h1-15H;4-11H,1-3H3;1-5H;/q;2*-1;+2/b;12-11+;;