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

Systemtic Name: 3-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanyl]propanoic acid Openeye Name: 3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylsulfanyl]propanoic acid CAS Name: 3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylthio]propanoic acid IUPAC Name: 3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylsulfanyl]propanoic acid Traditional Name: 3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylthio]propionic acid Formula: C18H26O5S MolecularWeight: 354.46104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O5S/c1-3-6-15-16(8-7-14(13(2)19)18(15)22)23-10-4-5-11-24-12-9-17(20)21/h7-8,22H,3-6,9-12H2,1-2H3,(H,20,21)