5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]thiophene-3-carboxylic acid Openeye Name: 5-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]thiophene-3-carboxylic acid CAS Name: 5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]thiophene-3-carboxylic acid Traditional Name: 5-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]-3-thenoic acid Formula: C22H16O2S MolecularWeight: 344.42624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CC(=CS3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=CC(=CS3)C(=O)O

InChI

InChI=1S/C22H16O2S/c1-16-10-12-18(13-11-16)21-9-5-3-7-17(21)6-2-4-8-20-14-19(15-25-20)22(23)24/h2-3,5-7,9-15H,1H3,(H,23,24)/b6-2+