zinc; 4-nonyl-2-(4-nonylpyridin-2-yl)pyridine; 7-oxidanylidenecyclohepta-1,3,5-trien-1-olate; chloride; hydrate

Systemtic Name: zinc; 4-nonyl-2-(4-nonylpyridin-2-yl)pyridine; 7-oxidanylidenecyclohepta-1,3,5-trien-1-olate; chloride; hydrate Openeye Name: zinc; 4-nonyl-2-(4-nonyl-2-pyridyl)pyridine; 7-oxocyclohepta-1,3,5-trien-1-olate; chloride; hydrate CAS Name: zinc; 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine; 7-oxo-1-cyclohepta-1,3,5-trienolate; chloride; hydrate IUPAC Name: zinc; 4-nonyl-2-(4-nonylpyridin-2-yl)pyridine; 7-oxocyclohepta-1,3,5-trien-1-olate; chloride; hydrate Traditional Name: zinc; 7-ketocyclohepta-1,3,5-trien-1-olate; 4-nonyl-2-(4-nonyl-2-pyridyl)pyridine; chloride; hydrate Formula: C35H51ClN2O3Zn MolecularWeight: 648.65304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=NC=C1)C2=NC=CC(=C2)CCCCCCCCC.C1=CC=C(C(=O)C=C1)[O-].O.[Cl-].[Zn+2]

Isomeric SMILES

CCCCCCCCCC1=CC(=NC=C1)C2=NC=CC(=C2)CCCCCCCCC.C1=CC=C(C(=O)C=C1)[O-].O.[Cl-].[Zn+2]

InChI

InChI=1S/C28H44N2.C7H6O2.ClH.H2O.Zn/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2;8-6-4-2-1-3-5-7(6)9;;;/h19-24H,3-18H2,1-2H3;1-5H,(H,8,9);1H;1H2;/q;;;;+2/p-2