5-(2-acetyloxyphenyl)sulfanylpentanoic acid

Systemtic Name: 5-(2-acetyloxyphenyl)sulfanylpentanoic acid Openeye Name: 5-(2-acetoxyphenyl)sulfanylpentanoic acid CAS Name: 5-[(2-acetyloxyphenyl)thio]pentanoic acid IUPAC Name: 5-(2-acetyloxyphenyl)sulfanylpentanoic acid Traditional Name: 5-[(2-acetoxyphenyl)thio]valeric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1SCCCCC(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1SCCCCC(=O)O

InChI

InChI=1S/C13H16O4S/c1-10(14)17-11-6-2-3-7-12(11)18-9-5-4-8-13(15)16/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,16)