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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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