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

Systemtic Name: 4-[4-[3-(3-ethyl-3-oxidanyl-pent-1-ynyl)phenoxy]phenyl]sulfonylphenol Openeye Name: 4-[4-[3-(3-ethyl-3-hydroxy-pent-1-ynyl)phenoxy]phenyl]sulfonylphenol CAS Name: 4-[4-[3-(3-ethyl-3-hydroxypent-1-ynyl)phenoxy]phenyl]sulfonylphenol IUPAC Name: 4-[4-[3-(3-ethyl-3-hydroxypent-1-ynyl)phenoxy]phenyl]sulfonylphenol Traditional Name: 4-[4-[3-(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(=CC=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O)O

Isomeric SMILES

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

InChI

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