cadmium(2+); 2-(6-methylheptoxycarbonyl)benzoate

Systemtic Name: cadmium(2+); 2-(6-methylheptoxycarbonyl)benzoate Openeye Name: cadmium(2+); 2-(6-methylheptoxycarbonyl)benzoate CAS Name: cadmium(2+); 2-[6-methylheptoxy(oxo)methyl]benzoate IUPAC Name: cadmium(2+); 2-(6-methylheptoxycarbonyl)benzoate Traditional Name: cadmium(2+); 2-(6-methylheptoxycarbonyl)benzoate Formula: C32H42CdO8 MolecularWeight: 667.08208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Cd+2]

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Cd+2]

InChI

InChI=1S/2C16H22O4.Cd/c2*1-12(2)8-4-3-7-11-20-16(19)14-10-6-5-9-13(14)15(17)18;/h2*5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,17,18);/q;;+2/p-2