ethynyl 3-ethyl-5-[4-(4-methylphenoxy)sulfonylphenyl]-2-oxidanyl-benzoate

Systemtic Name: ethynyl 3-ethyl-5-[4-(4-methylphenoxy)sulfonylphenyl]-2-oxidanyl-benzoate Openeye Name: ethynyl 3-ethyl-2-hydroxy-5-[4-(4-methylphenoxy)sulfonylphenyl]benzoate CAS Name: 3-ethyl-2-hydroxy-5-[4-(4-methylphenoxy)sulfonylphenyl]benzoic acid ethynyl ester IUPAC Name: ethynyl 3-ethyl-2-hydroxy-5-[4-(4-methylphenoxy)sulfonylphenyl]benzoate Traditional Name: 3-ethyl-2-hydroxy-5-[4-(4-methylphenoxy)sulfonylphenyl]benzoic acid ethynyl ester Formula: C24H20O6S MolecularWeight: 436.477

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1O)C(=O)OC#C)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC(=CC(=C1O)C(=O)OC#C)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C24H20O6S/c1-4-17-14-19(15-22(23(17)25)24(26)29-5-2)18-8-12-21(13-9-18)31(27,28)30-20-10-6-16(3)7-11-20/h2,6-15,25H,4H2,1,3H3