1-[2-methoxy-3-(3-methyl-3-oxidanyl-but-1-ynyl)-4,6-bis(phenylmethoxy)phenyl]ethanone

Systemtic Name: 1-[2-methoxy-3-(3-methyl-3-oxidanyl-but-1-ynyl)-4,6-bis(phenylmethoxy)phenyl]ethanone Openeye Name: 1-[4,6-dibenzyloxy-3-(3-hydroxy-3-methyl-but-1-ynyl)-2-methoxy-phenyl]ethanone CAS Name: 1-[3-(3-hydroxy-3-methylbut-1-ynyl)-2-methoxy-4,6-bis(phenylmethoxy)phenyl]ethanone IUPAC Name: 1-[3-(3-hydroxy-3-methylbut-1-ynyl)-2-methoxy-4,6-bis(phenylmethoxy)phenyl]ethanone Traditional Name: 1-[4,6-dibenzoxy-3-(3-hydroxy-3-methyl-but-1-ynyl)-2-methoxy-phenyl]ethanone Formula: C28H28O5 MolecularWeight: 444.51892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C(=C1OC)C#CC(C)(C)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(C=C(C(=C1OC)C#CC(C)(C)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H28O5/c1-20(29)26-25(33-19-22-13-9-6-10-14-22)17-24(32-18-21-11-7-5-8-12-21)23(27(26)31-4)15-16-28(2,3)30/h5-14,17,30H,18-19H2,1-4H3