4-(6-ethanoylsulfanylhexyl)benzoic acid

Systemtic Name: 4-(6-ethanoylsulfanylhexyl)benzoic acid Openeye Name: 4-(6-acetylsulfanylhexyl)benzoic acid CAS Name: 4-[6-(acetylthio)hexyl]benzoic acid IUPAC Name: 4-(6-acetylsulfanylhexyl)benzoic acid Traditional Name: 4-[6-(acetylthio)hexyl]benzoic acid Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(=O)SCCCCCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H20O3S/c1-12(16)19-11-5-3-2-4-6-13-7-9-14(10-8-13)15(17)18/h7-10H,2-6,11H2,1H3,(H,17,18)