bis[[3,5-bis(phenylmethoxy)phenyl]methyl] but-2-ynedioate

Systemtic Name: bis[[3,5-bis(phenylmethoxy)phenyl]methyl] but-2-ynedioate Openeye Name: bis[(3,5-dibenzyloxyphenyl)methyl] but-2-ynedioate CAS Name: 2-butynedioic acid bis[[3,5-bis(phenylmethoxy)phenyl]methyl] ester IUPAC Name: bis[[3,5-bis(phenylmethoxy)phenyl]methyl] but-2-ynedioate Traditional Name: but-2-ynedioic acid bis(3,5-dibenzoxybenzyl) ester Formula: C46H38O8 MolecularWeight: 718.78912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2)COC(=O)C#CC(=O)OCC3=CC(=CC(=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2)COC(=O)C#CC(=O)OCC3=CC(=CC(=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C46H38O8/c47-45(53-33-39-23-41(49-29-35-13-5-1-6-14-35)27-42(24-39)50-30-36-15-7-2-8-16-36)21-22-46(48)54-34-40-25-43(51-31-37-17-9-3-10-18-37)28-44(26-40)52-32-38-19-11-4-12-20-38/h1-20,23-28H,29-34H2