zinc 2-oxidanyl-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoate

Systemtic Name: zinc 2-oxidanyl-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoate Openeye Name: zinc 2-hydroxy-3,5-bis(1,1,3,3-tetramethylbutyl)benzoate CAS Name: zinc 2-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoate IUPAC Name: zinc 2-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoate Traditional Name: zinc 2-hydroxy-3,5-bis(1,1,3,3-tetramethylbutyl)benzoate Formula: C46H74O6Zn MolecularWeight: 788.48516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C23H38O3.Zn/c2*1-20(2,3)13-22(7,8)15-11-16(19(25)26)18(24)17(12-15)23(9,10)14-21(4,5)6;/h2*11-12,24H,13-14H2,1-10H3,(H,25,26);/q;;+2/p-2