zinc 5-(2-methylbutan-2-yl)-3-(7-methyloctyl)-2-oxidanyl-benzoate

Systemtic Name: zinc 5-(2-methylbutan-2-yl)-3-(7-methyloctyl)-2-oxidanyl-benzoate Openeye Name: zinc 5-(1,1-dimethylpropyl)-2-hydroxy-3-(7-methyloctyl)benzoate CAS Name: zinc 2-hydroxy-5-(2-methylbutan-2-yl)-3-(7-methyloctyl)benzoate IUPAC Name: zinc 2-hydroxy-5-(2-methylbutan-2-yl)-3-(7-methyloctyl)benzoate Traditional Name: zinc 5-tert-amyl-2-hydroxy-3-(7-methyloctyl)benzoate Formula: C42H66O6Zn MolecularWeight: 732.37884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H34O3.Zn/c2*1-6-21(4,5)17-13-16(19(22)18(14-17)20(23)24)12-10-8-7-9-11-15(2)3;/h2*13-15,22H,6-12H2,1-5H3,(H,23,24);/q;;+2/p-2