4-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoic acid

Systemtic Name: 4-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[2-(2-thienyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-(2-thiophen-2-ylphenyl)but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[2-(2-thienyl)phenyl]but-3-en-1-ynyl]benzoic acid Formula: C21H14O2S MolecularWeight: 330.39966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC#CC2=CC=C(C=C2)C(=O)O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C#CC2=CC=C(C=C2)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C21H14O2S/c22-21(23)18-13-11-16(12-14-18)6-1-2-7-17-8-3-4-9-19(17)20-10-5-15-24-20/h2-5,7-15H,(H,22,23)/b7-2+