4-[2-(5-chloranylthiophen-2-yl)-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-(5-chloranylthiophen-2-yl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(5-chloro-2-thienyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(5-chloro-2-thiophenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(5-chlorothiophen-2-yl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(5-chloro-2-thienyl)-1-cyano-vinyl]benzoic acid Formula: C14H8ClNO2S MolecularWeight: 289.73682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=CC2=CC=C(S2)Cl)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=CC2=CC=C(S2)Cl)C#N)C(=O)O

InChI

InChI=1S/C14H8ClNO2S/c15-13-6-5-12(19-13)7-11(8-16)9-1-3-10(4-2-9)14(17)18/h1-7H,(H,17,18)