4-[2-(4-ethanoylsulfanylphenyl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(4-ethanoylsulfanylphenyl)ethynyl]benzoic acid Openeye Name: 4-[2-(4-acetylsulfanylphenyl)ethynyl]benzoic acid CAS Name: 4-[2-[4-(acetylthio)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-(4-acetylsulfanylphenyl)ethynyl]benzoic acid Traditional Name: 4-[2-[4-(acetylthio)phenyl]ethynyl]benzoic acid Formula: C17H12O3S MolecularWeight: 296.34038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H12O3S/c1-12(18)21-16-10-6-14(7-11-16)3-2-13-4-8-15(9-5-13)17(19)20/h4-11H,1H3,(H,19,20)