2-[4-[3-methyl-5-(3-methyl-3-oxidanyl-but-1-ynyl)phenoxy]phenyl]sulfonylphenol

Systemtic Name: 2-[4-[3-methyl-5-(3-methyl-3-oxidanyl-but-1-ynyl)phenoxy]phenyl]sulfonylphenol Openeye Name: 2-[4-[3-(3-hydroxy-3-methyl-but-1-ynyl)-5-methyl-phenoxy]phenyl]sulfonylphenol CAS Name: 2-[4-[3-(3-hydroxy-3-methylbut-1-ynyl)-5-methylphenoxy]phenyl]sulfonylphenol IUPAC Name: 2-[4-[3-(3-hydroxy-3-methylbut-1-ynyl)-5-methylphenoxy]phenyl]sulfonylphenol Traditional Name: 2-[4-[3-(3-hydroxy-3-methyl-but-1-ynyl)-5-methyl-phenoxy]phenyl]sulfonylphenol Formula: C24H22O5S MolecularWeight: 422.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#CC(C)(C)O)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=CC(=C1)C#CC(C)(C)O)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3O

InChI

InChI=1S/C24H22O5S/c1-17-14-18(12-13-24(2,3)26)16-20(15-17)29-19-8-10-21(11-9-19)30(27,28)23-7-5-4-6-22(23)25/h4-11,14-16,25-26H,1-3H3