zinc 2-oxidanyl-3,5-bis(2-phenylpropan-2-yl)benzoate

Systemtic Name: zinc 2-oxidanyl-3,5-bis(2-phenylpropan-2-yl)benzoate Openeye Name: zinc 2-hydroxy-3,5-bis(1-methyl-1-phenyl-ethyl)benzoate CAS Name: zinc 2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoate IUPAC Name: zinc 2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoate Traditional Name: zinc 3,5-dicumyl-2-hydroxy-benzoate Formula: C50H50O6Zn MolecularWeight: 812.3374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C25H26O3.Zn/c2*1-24(2,17-11-7-5-8-12-17)19-15-20(23(27)28)22(26)21(16-19)25(3,4)18-13-9-6-10-14-18;/h2*5-16,26H,1-4H3,(H,27,28);/q;;+2/p-2