4-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)butanoic acid

Systemtic Name: 4-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)butanoic acid Openeye Name: 4-(6-acetyl-2-propyl-3-sulfanyl-phenoxy)butanoic acid CAS Name: 4-(6-acetyl-3-mercapto-2-propylphenoxy)butanoic acid IUPAC Name: 4-(6-acetyl-2-propyl-3-sulfanylphenoxy)butanoic acid Traditional Name: 4-(6-acetyl-3-mercapto-2-propyl-phenoxy)butyric acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCC(=O)O)C(=O)C)S

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCC(=O)O)C(=O)C)S

InChI

InChI=1S/C15H20O4S/c1-3-5-12-13(20)8-7-11(10(2)16)15(12)19-9-4-6-14(17)18/h7-8,20H,3-6,9H2,1-2H3,(H,17,18)