copper 3,5-di(cyclooctyl)-4-[3,5-di(cyclooctyl)-4-oxidanyl-phenyl]carbonyloxy-benzoate

Systemtic Name: copper 3,5-di(cyclooctyl)-4-[3,5-di(cyclooctyl)-4-oxidanyl-phenyl]carbonyloxy-benzoate Openeye Name: copper 3,5-di(cyclooctyl)-4-[3,5-di(cyclooctyl)-4-hydroxy-benzoyl]oxy-benzoate CAS Name: copper 3,5-di(cyclooctyl)-4-[[3,5-di(cyclooctyl)-4-hydroxyphenyl]-oxomethoxy]benzoate IUPAC Name: copper 3,5-di(cyclooctyl)-4-[3,5-di(cyclooctyl)-4-hydroxybenzoyl]oxybenzoate Traditional Name: cupric 3,5-di(cyclooctyl)-4-[3,5-di(cyclooctyl)-4-hydroxy-benzoyl]oxy-benzoate Formula: C92H130CuO10 MolecularWeight: 1459.5566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)C2=CC(=CC(=C2O)C3CCCCCCC3)C(=O)OC4=C(C=C(C=C4C5CCCCCCC5)C(=O)[O-])C6CCCCCCC6.C1CCCC(CCC1)C2=CC(=CC(=C2O)C3CCCCCCC3)C(=O)OC4=C(C=C(C=C4C5CCCCCCC5)C(=O)[O-])C6CCCCCCC6.[Cu+2]

Isomeric SMILES

C1CCCC(CCC1)C2=CC(=CC(=C2O)C3CCCCCCC3)C(=O)OC4=C(C=C(C=C4C5CCCCCCC5)C(=O)[O-])C6CCCCCCC6.C1CCCC(CCC1)C2=CC(=CC(=C2O)C3CCCCCCC3)C(=O)OC4=C(C=C(C=C4C5CCCCCCC5)C(=O)[O-])C6CCCCCCC6.[Cu+2]

InChI

InChI=1S/2C46H66O5.Cu/c2*47-43-39(33-21-13-5-1-6-14-22-33)31-38(32-40(43)34-23-15-7-2-8-16-24-34)46(50)51-44-41(35-25-17-9-3-10-18-26-35)29-37(45(48)49)30-42(44)36-27-19-11-4-12-20-28-36;/h2*29-36,47H,1-28H2,(H,48,49);/q;;+2/p-2