2-(4-methanoylphenyl)ethanethioic S-acid

Systemtic Name: 2-(4-methanoylphenyl)ethanethioic S-acid Openeye Name: 2-(4-formylphenyl)ethanethioic S-acid CAS Name: 2-(4-formylphenyl)ethanethioic S-acid IUPAC Name: 2-(4-formylphenyl)ethanethioic S-acid Traditional Name: 2-(4-formylphenyl)thioacetic acid Formula: C9H8O2S MolecularWeight: 180.22362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)S)C=O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)S)C=O

InChI

InChI=1S/C9H8O2S/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,6H,5H2,(H,11,12)