4-[4-[3-(3-ethyl-3-oxidanyl-pent-1-ynyl)-5-methyl-phenoxy]phenyl]sulfonylphenol

Systemtic Name: 4-[4-[3-(3-ethyl-3-oxidanyl-pent-1-ynyl)-5-methyl-phenoxy]phenyl]sulfonylphenol Openeye Name: 4-[4-[3-(3-ethyl-3-hydroxy-pent-1-ynyl)-5-methyl-phenoxy]phenyl]sulfonylphenol CAS Name: 4-[4-[3-(3-ethyl-3-hydroxypent-1-ynyl)-5-methylphenoxy]phenyl]sulfonylphenol IUPAC Name: 4-[4-[3-(3-ethyl-3-hydroxypent-1-ynyl)-5-methylphenoxy]phenyl]sulfonylphenol Traditional Name: 4-[4-[3-(3-ethyl-3-hydroxy-pent-1-ynyl)-5-methyl-phenoxy]phenyl]sulfonylphenol Formula: C26H26O5S MolecularWeight: 450.54664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O5S/c1-4-26(28,5-2)15-14-20-16-19(3)17-23(18-20)31-22-8-12-25(13-9-22)32(29,30)24-10-6-21(27)7-11-24/h6-13,16-18,27-28H,4-5H2,1-3H3