2-[4-[3-methyl-5-[2-(1-oxidanylcyclohexyl)ethynyl]phenoxy]phenyl]sulfonylphenol

Systemtic Name: 2-[4-[3-methyl-5-[2-(1-oxidanylcyclohexyl)ethynyl]phenoxy]phenyl]sulfonylphenol Openeye Name: 2-[4-[3-[2-(1-hydroxycyclohexyl)ethynyl]-5-methyl-phenoxy]phenyl]sulfonylphenol CAS Name: 2-[4-[3-[2-(1-hydroxycyclohexyl)ethynyl]-5-methylphenoxy]phenyl]sulfonylphenol IUPAC Name: 2-[4-[3-[2-(1-hydroxycyclohexyl)ethynyl]-5-methylphenoxy]phenyl]sulfonylphenol Traditional Name: 2-[4-[3-[2-(1-hydroxycyclohexyl)ethynyl]-5-methyl-phenoxy]phenyl]sulfonylphenol Formula: C27H26O5S MolecularWeight: 462.55734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#CC2(CCCCC2)O)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC(=CC(=C1)C#CC2(CCCCC2)O)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4O

InChI

InChI=1S/C27H26O5S/c1-20-17-21(13-16-27(29)14-5-2-6-15-27)19-23(18-20)32-22-9-11-24(12-10-22)33(30,31)26-8-4-3-7-25(26)28/h3-4,7-12,17-19,28-29H,2,5-6,14-15H2,1H3