S-[[4-[2-(4-ethynylphenyl)ethynyl]phenyl]methyl] ethanethioate

Systemtic Name: S-[[4-[2-(4-ethynylphenyl)ethynyl]phenyl]methyl] ethanethioate Openeye Name: S-[[4-[2-(4-ethynylphenyl)ethynyl]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[4-[2-(4-ethynylphenyl)ethynyl]phenyl]methyl] ester IUPAC Name: S-[[4-[2-(4-ethynylphenyl)ethynyl]phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-(4-ethynylphenyl)ethynyl]benzyl] ester Formula: C19H14OS MolecularWeight: 290.37886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#C

Isomeric SMILES

CC(=O)SCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#C

InChI

InChI=1S/C19H14OS/c1-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)14-21-15(2)20/h1,4-7,10-13H,14H2,2H3