(phenylmethyl) 4-iodanyl-3-[3-methoxy-2-(2-phenylethynyl)phenyl]carbonyloxy-5-phenylmethoxy-benzoate

Systemtic Name: (phenylmethyl) 4-iodanyl-3-[3-methoxy-2-(2-phenylethynyl)phenyl]carbonyloxy-5-phenylmethoxy-benzoate Openeye Name: benzyl 3-benzyloxy-4-iodo-5-[3-methoxy-2-(2-phenylethynyl)benzoyl]oxy-benzoate CAS Name: 4-iodo-3-[[3-methoxy-2-(2-phenylethynyl)phenyl]-oxomethoxy]-5-phenylmethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-iodo-3-[3-methoxy-2-(2-phenylethynyl)benzoyl]oxy-5-phenylmethoxybenzoate Traditional Name: 3-benzoxy-4-iodo-5-[3-methoxy-2-(2-phenylethynyl)benzoyl]oxy-benzoic acid benzyl ester Formula: C37H27IO6 MolecularWeight: 694.51115

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C#CC2=CC=CC=C2)C(=O)OC3=C(C(=CC(=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)I

Isomeric SMILES

COC1=CC=CC(=C1C#CC2=CC=CC=C2)C(=O)OC3=C(C(=CC(=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)I

InChI

InChI=1S/C37H27IO6/c1-41-32-19-11-18-31(30(32)21-20-26-12-5-2-6-13-26)37(40)44-34-23-29(36(39)43-25-28-16-9-4-10-17-28)22-33(35(34)38)42-24-27-14-7-3-8-15-27/h2-19,22-23H,24-25H2,1H3