6-(3-methyl-3-oxidanyl-but-1-ynyl)-5,7-bis(phenylmethoxy)-3-(4-phenylmethoxyphenyl)chromen-4-one

Systemtic Name: 6-(3-methyl-3-oxidanyl-but-1-ynyl)-5,7-bis(phenylmethoxy)-3-(4-phenylmethoxyphenyl)chromen-4-one Openeye Name: 5,7-dibenzyloxy-3-(4-benzyloxyphenyl)-6-(3-hydroxy-3-methyl-but-1-ynyl)chromen-4-one CAS Name: 6-(3-hydroxy-3-methylbut-1-ynyl)-5,7-bis(phenylmethoxy)-3-(4-phenylmethoxyphenyl)-1-benzopyran-4-one IUPAC Name: 6-(3-hydroxy-3-methylbut-1-ynyl)-5,7-bis(phenylmethoxy)-3-(4-phenylmethoxyphenyl)chromen-4-one Traditional Name: 5,7-dibenzoxy-3-(4-benzoxyphenyl)-6-(3-hydroxy-3-methyl-but-1-ynyl)chromone Formula: C41H34O6 MolecularWeight: 622.70506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C(C=C2C(=C1OCC3=CC=CC=C3)C(=O)C(=CO2)C4=CC=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O

Isomeric SMILES

CC(C)(C#CC1=C(C=C2C(=C1OCC3=CC=CC=C3)C(=O)C(=CO2)C4=CC=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O

InChI

InChI=1S/C41H34O6/c1-41(2,43)23-22-34-36(45-26-30-14-8-4-9-15-30)24-37-38(40(34)47-27-31-16-10-5-11-17-31)39(42)35(28-46-37)32-18-20-33(21-19-32)44-25-29-12-6-3-7-13-29/h3-21,24,28,43H,25-27H2,1-2H3