nickel(3+); [(phenylmethyl)-propan-2-yl-amino]methanedithiolate; triphenylphosphanium

Systemtic Name: nickel(3+); [(phenylmethyl)-propan-2-yl-amino]methanedithiolate; triphenylphosphanium Openeye Name: nickelic; [benzyl(isopropyl)amino]methanedithiolate; triphenylphosphonium CAS Name: nickel(3+); [(phenylmethyl)-propan-2-ylamino]methanedithiolate; triphenylphosphonium IUPAC Name: [benzyl(propan-2-yl)amino]methanedithiolate; nickel(3+); triphenylphosphanium Traditional Name: nickelic; [benzyl(isopropyl)amino]methanedithiolate; triphenylphosphonium Formula: C47H47NNiP2S2+3 MolecularWeight: 810.653702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C([S-])[S-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ni+3]

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C([S-])[S-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ni+3]

InChI

InChI=1S/2C18H15P.C11H17NS2.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)12(11(13)14)8-10-6-4-3-5-7-10;/h2*1-15H;3-7,9,11,13-14H,8H2,1-2H3;/q;;;+3