1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)-2,4-bis(phenylmethoxy)phenyl]ethanone

Systemtic Name: 1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)-2,4-bis(phenylmethoxy)phenyl]ethanone Openeye Name: 1-[2,4-dibenzyloxy-5-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]ethanone CAS Name: 1-[5-(3-hydroxy-3-methylbut-1-ynyl)-2,4-bis(phenylmethoxy)phenyl]ethanone IUPAC Name: 1-[5-(3-hydroxy-3-methylbut-1-ynyl)-2,4-bis(phenylmethoxy)phenyl]ethanone Traditional Name: 1-[2,4-dibenzoxy-5-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]ethanone Formula: C27H26O4 MolecularWeight: 414.49294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26O4/c1-20(28)24-16-23(14-15-27(2,3)29)25(30-18-21-10-6-4-7-11-21)17-26(24)31-19-22-12-8-5-9-13-22/h4-13,16-17,29H,18-19H2,1-3H3