4-[4-[3-(4-ethanoyl-6-ethyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanyl-butanoic acid

Systemtic Name: 4-[4-[3-(4-ethanoyl-6-ethyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanyl-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-6-ethyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-hydroxy-3-methyl-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-6-ethyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-hydroxy-3-methylbutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-6-ethyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-4-hydroxy-3-methylbutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-6-ethyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-4-hydroxy-3-methyl-butyric acid Formula: C27H36O6S MolecularWeight: 488.63614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1OCCCSC2=CC=C(C=C2)C(C(C)CC(=O)O)O)CC)C(=O)C)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1OCCCSC2=CC=C(C=C2)C(C(C)CC(=O)O)O)CC)C(=O)C)O

InChI

InChI=1S/C27H36O6S/c1-5-8-22-26(32)23(18(4)28)16-19(6-2)27(22)33-13-7-14-34-21-11-9-20(10-12-21)25(31)17(3)15-24(29)30/h9-12,16-17,25,31-32H,5-8,13-15H2,1-4H3,(H,29,30)