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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H34O3.Zn/c2*1-6-21(4,5)18-14-16(13-17(19(18)22)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