zinc 2-methyl-6-oxidanyl-3,5-bis(2-phenylpropan-2-yl)benzoate

Systemtic Name: zinc 2-methyl-6-oxidanyl-3,5-bis(2-phenylpropan-2-yl)benzoate Openeye Name: zinc 2-hydroxy-6-methyl-3,5-bis(1-methyl-1-phenyl-ethyl)benzoate CAS Name: zinc 2-hydroxy-6-methyl-3,5-bis(2-phenylpropan-2-yl)benzoate IUPAC Name: zinc 2-hydroxy-6-methyl-3,5-bis(2-phenylpropan-2-yl)benzoate Traditional Name: zinc 3,5-dicumyl-2-hydroxy-6-methyl-benzoate Formula: C52H54O6Zn MolecularWeight: 840.39056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(C)(C)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3)O)C(=O)[O-].CC1=C(C(=C(C=C1C(C)(C)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3)O)C(=O)[O-].[Zn+2]

Isomeric SMILES

CC1=C(C(=C(C=C1C(C)(C)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3)O)C(=O)[O-].CC1=C(C(=C(C=C1C(C)(C)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3)O)C(=O)[O-].[Zn+2]

InChI

InChI=1S/2C26H28O3.Zn/c2*1-17-20(25(2,3)18-12-8-6-9-13-18)16-21(23(27)22(17)24(28)29)26(4,5)19-14-10-7-11-15-19;/h2*6-16,27H,1-5H3,(H,28,29);/q;;+2/p-2