zinc 2-[[3-(1,3-diphenylbutyl)-5-methyl-phenyl]methoxy]benzoate

Systemtic Name: zinc 2-[[3-(1,3-diphenylbutyl)-5-methyl-phenyl]methoxy]benzoate Openeye Name: zinc 2-[[3-(1,3-diphenylbutyl)-5-methyl-phenyl]methoxy]benzoate CAS Name: zinc 2-[[3-(1,3-diphenylbutyl)-5-methylphenyl]methoxy]benzoate IUPAC Name: zinc 2-[[3-(1,3-diphenylbutyl)-5-methylphenyl]methoxy]benzoate Traditional Name: zinc 2-[3-(1,3-diphenylbutyl)-5-methyl-benzyl]oxybenzoate Formula: C62H58O6Zn MolecularWeight: 964.52932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C2=CC=CC=C2)C3=CC=CC=C3)COC4=CC=CC=C4C(=O)[O-].CC1=CC(=CC(=C1)C(CC(C)C2=CC=CC=C2)C3=CC=CC=C3)COC4=CC=CC=C4C(=O)[O-].[Zn+2]

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C2=CC=CC=C2)C3=CC=CC=C3)COC4=CC=CC=C4C(=O)[O-].CC1=CC(=CC(=C1)C(CC(C)C2=CC=CC=C2)C3=CC=CC=C3)COC4=CC=CC=C4C(=O)[O-].[Zn+2]

InChI

InChI=1S/2C31H30O3.Zn/c2*1-22-17-24(21-34-30-16-10-9-15-28(30)31(32)33)20-27(18-22)29(26-13-7-4-8-14-26)19-23(2)25-11-5-3-6-12-25;/h2*3-18,20,23,29H,19,21H2,1-2H3,(H,32,33);/q;;+2/p-2