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

Systemtic Name: 2-[4-[4-(3-ethyl-3-oxidanyl-pent-1-ynyl)phenoxy]phenyl]sulfonylphenol Openeye Name: 2-[4-[4-(3-ethyl-3-hydroxy-pent-1-ynyl)phenoxy]phenyl]sulfonylphenol CAS Name: 2-[4-[4-(3-ethyl-3-hydroxypent-1-ynyl)phenoxy]phenyl]sulfonylphenol IUPAC Name: 2-[4-[4-(3-ethyl-3-hydroxypent-1-ynyl)phenoxy]phenyl]sulfonylphenol Traditional Name: 2-[4-[4-(3-ethyl-3-hydroxy-pent-1-ynyl)phenoxy]phenyl]sulfonylphenol Formula: C25H24O5S MolecularWeight: 436.52006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3O)O

Isomeric SMILES

CCC(CC)(C#CC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3O)O

InChI

InChI=1S/C25H24O5S/c1-3-25(27,4-2)18-17-19-9-11-20(12-10-19)30-21-13-15-22(16-14-21)31(28,29)24-8-6-5-7-23(24)26/h5-16,26-27H,3-4H2,1-2H3