2-acetyloxy-5-phenyl-pentanethioic S-acid

Systemtic Name: 2-acetyloxy-5-phenyl-pentanethioic S-acid Openeye Name: 2-acetoxy-5-phenyl-pentanethioic S-acid CAS Name: 2-acetyloxy-5-phenylpentanethioic S-acid IUPAC Name: 2-acetyloxy-5-phenylpentanethioic S-acid Traditional Name: 2-acetoxy-5-phenyl-thiovaleric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCC1=CC=CC=C1)C(=O)S

Isomeric SMILES

CC(=O)OC(CCCC1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C13H16O3S/c1-10(14)16-12(13(15)17)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,15,17)