2-butylsulfanyl-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 2-butylsulfanyl-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 2-butylsulfanyl-4-oxo-4-phenyl-butanoic acid CAS Name: 2-(butylthio)-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-butylsulfanyl-4-oxo-4-phenylbutanoic acid Traditional Name: 2-(butylthio)-4-keto-4-phenyl-butyric acid Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(CC(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCSC(CC(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H18O3S/c1-2-3-9-18-13(14(16)17)10-12(15)11-7-5-4-6-8-11/h4-8,13H,2-3,9-10H2,1H3,(H,16,17)