zinc; 1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol; zinc; ethanoate; dihexafluorophosphate

Systemtic Name: zinc; 1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol; zinc; ethanoate; dihexafluorophosphate Openeye Name: zinc; 1,3-bis[bis(2-pyridylmethyl)amino]propan-2-ol; zinc; acetate; dihexafluorophosphate CAS Name: zinc; 1,3-bis[bis(2-pyridinylmethyl)amino]-2-propanol; zinc; acetate; dihexafluorophosphate IUPAC Name: zinc; 1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol; zinc; acetate; dihexafluorophosphate Traditional Name: zinc; 1,3-bis[bis(2-pyridylmethyl)amino]propan-2-ol; zinc; acetate; dihexafluorophosphate Formula: C29H33F12N6O3P2Zn2- MolecularWeight: 934.35708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC(CN(CC3=CC=CC=N3)CC4=CC=CC=N4)O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Zn].[Zn+2]

Isomeric SMILES

CC(=O)[O-].C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC(CN(CC3=CC=CC=N3)CC4=CC=CC=N4)O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Zn].[Zn+2]

InChI

InChI=1S/C27H30N6O.C2H4O2.2F6P.2Zn/c34-27(21-32(17-23-9-1-5-13-28-23)18-24-10-2-6-14-29-24)22-33(19-25-11-3-7-15-30-25)20-26-12-4-8-16-31-26;1-2(3)4;2*1-7(2,3,4,5)6;;/h1-16,27,34H,17-22H2;1H3,(H,3,4);;;;/q;;2*-1;;+2/p-1