zinc 3-(2-methylbutan-2-yl)-5-(4-methylpentyl)-2-oxidanyl-benzoate

Systemtic Name: zinc 3-(2-methylbutan-2-yl)-5-(4-methylpentyl)-2-oxidanyl-benzoate Openeye Name: zinc 3-(1,1-dimethylpropyl)-2-hydroxy-5-isohexyl-benzoate CAS Name: zinc 2-hydroxy-3-(2-methylbutan-2-yl)-5-(4-methylpentyl)benzoate IUPAC Name: zinc 2-hydroxy-3-(2-methylbutan-2-yl)-5-(4-methylpentyl)benzoate Traditional Name: zinc 3-tert-amyl-2-hydroxy-5-isohexyl-benzoate Formula: C36H54O6Zn MolecularWeight: 648.21936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H28O3.Zn/c2*1-6-18(4,5)15-11-13(9-7-8-12(2)3)10-14(16(15)19)17(20)21;/h2*10-12,19H,6-9H2,1-5H3,(H,20,21);/q;;+2/p-2