zinc 2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methyl-phenolate nitrate

Systemtic Name: zinc 2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methyl-phenolate nitrate Openeye Name: zinc 2,6-bis[[bis(2-pyridylmethyl)amino]methyl]-4-methyl-phenolate nitrate CAS Name: zinc 2,6-bis[[bis(2-pyridinylmethyl)amino]methyl]-4-methylphenolate nitrate IUPAC Name: zinc 2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate nitrate Traditional Name: zinc 2,6-bis[[bis(2-pyridylmethyl)amino]methyl]-4-methyl-phenolate nitrate Formula: C33H33N7O4Zn MolecularWeight: 657.06862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3)[O-])CN(CC4=CC=CC=N4)CC5=CC=CC=N5.[N+](=O)([O-])[O-].[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3)[O-])CN(CC4=CC=CC=N4)CC5=CC=CC=N5.[N+](=O)([O-])[O-].[Zn+2]

InChI

InChI=1S/C33H34N6O.NO3.Zn/c1-26-18-27(20-38(22-29-10-2-6-14-34-29)23-30-11-3-7-15-35-30)33(40)28(19-26)21-39(24-31-12-4-8-16-36-31)25-32-13-5-9-17-37-32;2-1(3)4;/h2-19,40H,20-25H2,1H3;;/q;-1;+2/p-1