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

Systemtic Name: 4-[4-[3-(4-ethanoyl-6-methyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanyl-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-6-methyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-hydroxy-3-methyl-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-6-methyl-2-propylphenoxy)propylthio]phenyl]-4-hydroxy-3-methylbutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-6-methyl-2-propylphenoxy)propylsulfanyl]phenyl]-4-hydroxy-3-methylbutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-6-methyl-2-propyl-phenoxy)propylthio]phenyl]-4-hydroxy-3-methyl-butyric acid Formula: C26H34O6S MolecularWeight: 474.60956

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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)C)C(=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C26H34O6S/c1-5-7-21-25(31)22(18(4)27)14-17(3)26(21)32-12-6-13-33-20-10-8-19(9-11-20)24(30)16(2)15-23(28)29/h8-11,14,16,24,30-31H,5-7,12-13,15H2,1-4H3,(H,28,29)