4-[4-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propylthio]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propylsulfanyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propylthio]phenyl]-4-keto-butyric acid Formula: C26H30O7S MolecularWeight: 486.5772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCSC2=CC=C(C=C2)C(=O)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCSC2=CC=C(C=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C26H30O7S/c1-4-6-22-24(13-11-21(17(2)27)26(22)33-18(3)28)32-15-5-16-34-20-9-7-19(8-10-20)23(29)12-14-25(30)31/h7-11,13H,4-6,12,14-16H2,1-3H3,(H,30,31)