4-[4-[3-(3-ethyl-3-oxidanyl-pent-1-ynyl)-2-methyl-phenoxy]phenyl]sulfonylphenol

Systemtic Name: 4-[4-[3-(3-ethyl-3-oxidanyl-pent-1-ynyl)-2-methyl-phenoxy]phenyl]sulfonylphenol Openeye Name: 4-[4-[3-(3-ethyl-3-hydroxy-pent-1-ynyl)-2-methyl-phenoxy]phenyl]sulfonylphenol CAS Name: 4-[4-[3-(3-ethyl-3-hydroxypent-1-ynyl)-2-methylphenoxy]phenyl]sulfonylphenol IUPAC Name: 4-[4-[3-(3-ethyl-3-hydroxypent-1-ynyl)-2-methylphenoxy]phenyl]sulfonylphenol Traditional Name: 4-[4-[3-(3-ethyl-3-hydroxy-pent-1-ynyl)-2-methyl-phenoxy]phenyl]sulfonylphenol Formula: C26H26O5S MolecularWeight: 450.54664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)(C#CC1=C(C(=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)18-17-20-7-6-8-25(19(20)3)31-22-11-15-24(16-12-22)32(29,30)23-13-9-21(27)10-14-23/h6-16,27-28H,4-5H2,1-3H3