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

Systemtic Name: zinc 5-(2-methylheptan-2-yl)-3-(7-methyloctyl)-2-oxidanyl-benzoate Openeye Name: zinc 5-(1,1-dimethylhexyl)-2-hydroxy-3-(7-methyloctyl)benzoate CAS Name: zinc 2-hydroxy-5-(2-methylheptan-2-yl)-3-(7-methyloctyl)benzoate IUPAC Name: zinc 2-hydroxy-5-(2-methylheptan-2-yl)-3-(7-methyloctyl)benzoate Traditional Name: zinc 5-(1,1-dimethylhexyl)-2-hydroxy-3-(7-methyloctyl)benzoate Formula: C48H78O6Zn MolecularWeight: 816.53832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H40O3.Zn/c2*1-6-7-12-15-24(4,5)20-16-19(22(25)21(17-20)23(26)27)14-11-9-8-10-13-18(2)3;/h2*16-18,25H,6-15H2,1-5H3,(H,26,27);/q;;+2/p-2