zinc 2-oxidanyl-5-(2-phenylpropan-2-yl)-3-[4-(2-phenylpropan-2-yl)phenyl]benzoate

Systemtic Name: zinc 2-oxidanyl-5-(2-phenylpropan-2-yl)-3-[4-(2-phenylpropan-2-yl)phenyl]benzoate Openeye Name: zinc 2-hydroxy-5-(1-methyl-1-phenyl-ethyl)-3-[4-(1-methyl-1-phenyl-ethyl)phenyl]benzoate CAS Name: zinc 2-hydroxy-5-(2-phenylpropan-2-yl)-3-[4-(2-phenylpropan-2-yl)phenyl]benzoate IUPAC Name: zinc 2-hydroxy-5-(2-phenylpropan-2-yl)-3-[4-(2-phenylpropan-2-yl)phenyl]benzoate Traditional Name: zinc 5-cumyl-3-(4-cumylphenyl)-2-hydroxy-benzoate Formula: C62H58O6Zn MolecularWeight: 964.52932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3O)C(=O)[O-])C(C)(C)C4=CC=CC=C4.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3O)C(=O)[O-])C(C)(C)C4=CC=CC=C4.[Zn+2]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3O)C(=O)[O-])C(C)(C)C4=CC=CC=C4.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3O)C(=O)[O-])C(C)(C)C4=CC=CC=C4.[Zn+2]

InChI

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