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

Systemtic Name: 2-[4-(3-ethynyl-5-methyl-phenoxy)phenyl]sulfonylphenol Openeye Name: 2-[4-(3-ethynyl-5-methyl-phenoxy)phenyl]sulfonylphenol CAS Name: 2-[4-(3-ethynyl-5-methylphenoxy)phenyl]sulfonylphenol IUPAC Name: 2-[4-(3-ethynyl-5-methylphenoxy)phenyl]sulfonylphenol Traditional Name: 2-[4-(3-ethynyl-5-methyl-phenoxy)phenyl]sulfonylphenol Formula: C21H16O4S MolecularWeight: 364.41434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16O4S/c1-3-16-12-15(2)13-18(14-16)25-17-8-10-19(11-9-17)26(23,24)21-7-5-4-6-20(21)22/h1,4-14,22H,2H3