4-oxidanylidene-2-(phenylmethyl)pentanethioic S-acid

Systemtic Name: 4-oxidanylidene-2-(phenylmethyl)pentanethioic S-acid Openeye Name: 2-benzyl-4-oxo-pentanethioic S-acid CAS Name: 4-oxo-2-(phenylmethyl)pentanethioic S-acid IUPAC Name: 2-benzyl-4-oxopentanethioic S-acid Traditional Name: 2-benzyl-4-keto-thiovaleric acid Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC1=CC=CC=C1)C(=O)S

Isomeric SMILES

CC(=O)CC(CC1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C12H14O2S/c1-9(13)7-11(12(14)15)8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)