4-[4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenoxy]phenyl]sulfonylphenol

Systemtic Name: 4-[4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenoxy]phenyl]sulfonylphenol Openeye Name: 4-[4-[3-(3-hydroxy-3-methyl-but-1-ynyl)phenoxy]phenyl]sulfonylphenol CAS Name: 4-[4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenoxy]phenyl]sulfonylphenol IUPAC Name: 4-[4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenoxy]phenyl]sulfonylphenol Traditional Name: 4-[4-[3-(3-hydroxy-3-methyl-but-1-ynyl)phenoxy]phenyl]sulfonylphenol Formula: C23H20O5S MolecularWeight: 408.4669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C23H20O5S/c1-23(2,25)15-14-17-4-3-5-20(16-17)28-19-8-12-22(13-9-19)29(26,27)21-10-6-18(24)7-11-21/h3-13,16,24-25H,1-2H3