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

Systemtic Name: 4-[(E)-4-(2-thiophen-3-ylphenyl)but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[2-(3-thienyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[2-(3-thiophenyl)phenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-(2-thiophen-3-ylphenyl)but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[2-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H14O2S/c22-21(23)18-11-9-16(10-12-18)5-1-2-6-17-7-3-4-8-20(17)19-13-14-24-15-19/h2-4,6-15H,(H,22,23)/b6-2+