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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O)C#CC(C)(C)O

Isomeric SMILES

CC1=C(C=CC=C1OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O)C#CC(C)(C)O

InChI

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