zinc 2-(1-phenylethoxy)-3-(1-phenylethyl)benzoate

Systemtic Name: zinc 2-(1-phenylethoxy)-3-(1-phenylethyl)benzoate Openeye Name: zinc 2-(1-phenylethoxy)-3-(1-phenylethyl)benzoate CAS Name: zinc 2-(1-phenylethoxy)-3-(1-phenylethyl)benzoate IUPAC Name: zinc 2-(1-phenylethoxy)-3-(1-phenylethyl)benzoate Traditional Name: zinc 2-(1-phenylethoxy)-3-(1-phenylethyl)benzoate Formula: C46H42O6Zn MolecularWeight: 756.23108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC=CC(=C2OC(C)C3=CC=CC=C3)C(=O)[O-].CC(C1=CC=CC=C1)C2=CC=CC(=C2OC(C)C3=CC=CC=C3)C(=O)[O-].[Zn+2]

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC=CC(=C2OC(C)C3=CC=CC=C3)C(=O)[O-].CC(C1=CC=CC=C1)C2=CC=CC(=C2OC(C)C3=CC=CC=C3)C(=O)[O-].[Zn+2]

InChI

InChI=1S/2C23H22O3.Zn/c2*1-16(18-10-5-3-6-11-18)20-14-9-15-21(23(24)25)22(20)26-17(2)19-12-7-4-8-13-19;/h2*3-17H,1-2H3,(H,24,25);/q;;+2/p-2