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

Systemtic Name: 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]ethanoic acid Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]acetic acid CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]acetic acid IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]acetic acid Traditional Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]acetic acid Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O5S/c1-3-5-13-14(7-6-12(11(2)17)16(13)20)21-8-4-9-22-10-15(18)19/h6-7,20H,3-5,8-10H2,1-2H3,(H,18,19)