buta-1,3-diynyl 4-[2-(4-methylphenyl)phenyl]thiophene-3-carboxylate

Systemtic Name: buta-1,3-diynyl 4-[2-(4-methylphenyl)phenyl]thiophene-3-carboxylate Openeye Name: buta-1,3-diynyl 4-[2-(p-tolyl)phenyl]thiophene-3-carboxylate CAS Name: 4-[2-(4-methylphenyl)phenyl]-3-thiophenecarboxylic acid buta-1,3-diynyl ester IUPAC Name: buta-1,3-diynyl 4-[2-(4-methylphenyl)phenyl]thiophene-3-carboxylate Traditional Name: 4-[2-(p-tolyl)phenyl]thiophene-3-carboxylic acid buta-1,3-diynyl ester Formula: C22H14O2S MolecularWeight: 342.41036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C3=CSC=C3C(=O)OC#CC#C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C3=CSC=C3C(=O)OC#CC#C

InChI

InChI=1S/C22H14O2S/c1-3-4-13-24-22(23)21-15-25-14-20(21)19-8-6-5-7-18(19)17-11-9-16(2)10-12-17/h1,5-12,14-15H,2H3