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

Systemtic Name: 2-[4-[2-methyl-3-[2-(1-oxidanylcyclohexyl)ethynyl]phenoxy]phenyl]sulfonylphenol Openeye Name: 2-[4-[3-[2-(1-hydroxycyclohexyl)ethynyl]-2-methyl-phenoxy]phenyl]sulfonylphenol CAS Name: 2-[4-[3-[2-(1-hydroxycyclohexyl)ethynyl]-2-methylphenoxy]phenyl]sulfonylphenol IUPAC Name: 2-[4-[3-[2-(1-hydroxycyclohexyl)ethynyl]-2-methylphenoxy]phenyl]sulfonylphenol Traditional Name: 2-[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=CC=C3O)C#CC4(CCCCC4)O

Isomeric SMILES

CC1=C(C=CC=C1OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3O)C#CC4(CCCCC4)O

InChI

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