3-[31-(4-iodanylphenoxy)hentriacontanoyloxy]propyl 31-(4-iodanylphenoxy)hentriacontanoate

Systemtic Name: 3-[31-(4-iodanylphenoxy)hentriacontanoyloxy]propyl 31-(4-iodanylphenoxy)hentriacontanoate Openeye Name: 3-[31-(4-iodophenoxy)hentriacontanoyloxy]propyl 31-(4-iodophenoxy)hentriacontanoate CAS Name: 31-(4-iodophenoxy)hentriacontanoic acid 3-[31-(4-iodophenoxy)-1-oxohentriacontoxy]propyl ester IUPAC Name: 3-[31-(4-iodophenoxy)hentriacontanoyloxy]propyl 31-(4-iodophenoxy)hentriacontanoate Traditional Name: 31-(4-iodophenoxy)hentriacontanoic acid 3-[31-(4-iodophenoxy)hentriacontanoyloxy]propyl ester Formula: C77H134I2O6 MolecularWeight: 1409.6932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC2=CC=C(C=C2)I)I

Isomeric SMILES

C1=CC(=CC=C1OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC2=CC=C(C=C2)I)I

InChI

InChI=1S/C77H134I2O6/c78-72-60-64-74(65-61-72)82-68-55-51-47-43-39-35-31-27-23-19-15-11-7-3-1-5-9-13-17-21-25-29-33-37-41-45-49-53-58-76(80)84-70-57-71-85-77(81)59-54-50-46-42-38-34-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-36-40-44-48-52-56-69-83-75-66-62-73(79)63-67-75/h60-67H,1-59,68-71H2