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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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