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

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3-propyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-propyl-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-propylphenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3-propylphenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-propyl-phenyl]-4-keto-butyric acid Formula: C27H34O6S MolecularWeight: 486.62026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CCC(=O)O)SCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CCC(=O)O)SCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC

InChI

InChI=1S/C27H34O6S/c1-4-7-20-17-19(23(29)11-14-26(30)31)9-13-25(20)34-16-6-15-33-24-12-10-21(18(3)28)27(32)22(24)8-5-2/h9-10,12-13,17,32H,4-8,11,14-16H2,1-3H3,(H,30,31)