3-oxidanylidene-3-phenyl-2-(phenylmethyl)propanethioic S-acid

Systemtic Name: 3-oxidanylidene-3-phenyl-2-(phenylmethyl)propanethioic S-acid Openeye Name: 2-benzyl-3-oxo-3-phenyl-propanethioic S-acid CAS Name: 3-oxo-3-phenyl-2-(phenylmethyl)propanethioic S-acid IUPAC Name: 2-benzyl-3-oxo-3-phenylpropanethioic S-acid Traditional Name: 2-benzyl-3-keto-3-phenyl-thiopropionic acid Formula: C16H14O2S MolecularWeight: 270.34616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O2S/c17-15(13-9-5-2-6-10-13)14(16(18)19)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,19)