4-[3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)-1-oxidanyl-prop-2-ynyl]benzoic acid

Systemtic Name: 4-[3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)-1-oxidanyl-prop-2-ynyl]benzoic acid Openeye Name: 4-[3-[2,4-dimethoxy-5-(2-thienyl)phenyl]-1-hydroxy-prop-2-ynyl]benzoic acid CAS Name: 4-[3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-1-hydroxyprop-2-ynyl]benzoic acid IUPAC Name: 4-[3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-1-hydroxyprop-2-ynyl]benzoic acid Traditional Name: 4-[3-[2,4-dimethoxy-5-(2-thienyl)phenyl]-1-hydroxy-prop-2-ynyl]benzoic acid Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C#CC(C2=CC=C(C=C2)C(=O)O)O)C3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=C(C=C1C#CC(C2=CC=C(C=C2)C(=O)O)O)C3=CC=CS3)OC

InChI

InChI=1S/C22H18O5S/c1-26-19-13-20(27-2)17(21-4-3-11-28-21)12-16(19)9-10-18(23)14-5-7-15(8-6-14)22(24)25/h3-8,11-13,18,23H,1-2H3,(H,24,25)