3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]propanoic acid

Systemtic Name: 3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]propanoic acid Openeye Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]propanoic acid CAS Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]propanoic acid IUPAC Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]propanoic acid Traditional Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]propionic acid Formula: C17H24O5S MolecularWeight: 340.43446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSCCC(=O)O

InChI

InChI=1S/C17H24O5S/c1-3-5-14-15(7-6-13(12(2)18)17(14)21)22-9-4-10-23-11-8-16(19)20/h6-7,21H,3-5,8-11H2,1-2H3,(H,19,20)