zinc 2-oxidanyl-3-(1-phenylethyl)-5-(2-phenylpropan-2-yl)benzoate

Systemtic Name: zinc 2-oxidanyl-3-(1-phenylethyl)-5-(2-phenylpropan-2-yl)benzoate Openeye Name: zinc 2-hydroxy-5-(1-methyl-1-phenyl-ethyl)-3-(1-phenylethyl)benzoate CAS Name: zinc 2-hydroxy-3-(1-phenylethyl)-5-(2-phenylpropan-2-yl)benzoate IUPAC Name: zinc 2-hydroxy-3-(1-phenylethyl)-5-(2-phenylpropan-2-yl)benzoate Traditional Name: zinc 5-cumyl-2-hydroxy-3-(1-phenylethyl)benzoate Formula: C48H46O6Zn MolecularWeight: 784.28424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H24O3.Zn/c2*1-16(17-10-6-4-7-11-17)20-14-19(15-21(22(20)25)23(26)27)24(2,3)18-12-8-5-9-13-18;/h2*4-16,25H,1-3H3,(H,26,27);/q;;+2/p-2