2-(2-phenyl-5-propanoyl-phenyl)ethanethioic S-acid

Systemtic Name: 2-(2-phenyl-5-propanoyl-phenyl)ethanethioic S-acid Openeye Name: 2-(2-phenyl-5-propanoyl-phenyl)ethanethioic S-acid CAS Name: 2-[5-(1-oxopropyl)-2-phenylphenyl]ethanethioic S-acid IUPAC Name: 2-(2-phenyl-5-propanoylphenyl)ethanethioic S-acid Traditional Name: 2-(2-phenyl-5-propionyl-phenyl)thioacetic acid Formula: C17H16O2S MolecularWeight: 284.37274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)CC(=O)S

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)CC(=O)S

InChI

InChI=1S/C17H16O2S/c1-2-16(18)13-8-9-15(12-6-4-3-5-7-12)14(10-13)11-17(19)20/h3-10H,2,11H2,1H3,(H,19,20)