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

Systemtic Name: zinc 5-(7-methyloctyl)-2-oxidanyl-3-propan-2-yl-benzoate Openeye Name: zinc 2-hydroxy-3-isopropyl-5-(7-methyloctyl)benzoate CAS Name: zinc 2-hydroxy-5-(7-methyloctyl)-3-propan-2-ylbenzoate IUPAC Name: zinc 2-hydroxy-5-(7-methyloctyl)-3-propan-2-ylbenzoate Traditional Name: zinc 2-hydroxy-3-isopropyl-5-(7-methyloctyl)benzoate Formula: C38H58O6Zn MolecularWeight: 676.27252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)CCCCCCC1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.[Zn+2]

Isomeric SMILES

CC(C)CCCCCCC1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)CCCCCCC1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.[Zn+2]

InChI

InChI=1S/2C19H30O3.Zn/c2*1-13(2)9-7-5-6-8-10-15-11-16(14(3)4)18(20)17(12-15)19(21)22;/h2*11-14,20H,5-10H2,1-4H3,(H,21,22);/q;;+2/p-2