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

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

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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#CC4(CCCCC4)O

Isomeric SMILES

CC1=C(C=CC=C1OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O)C#CC4(CCCCC4)O

InChI

InChI=1S/C27H26O5S/c1-20-21(16-19-27(29)17-3-2-4-18-27)6-5-7-26(20)32-23-10-14-25(15-11-23)33(30,31)24-12-8-22(28)9-13-24/h5-15,28-29H,2-4,17-18H2,1H3