4-[2-cyclohexyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-4-methyl-1,3-oxathiolan-2-yl]butanoic acid

Systemtic Name: 4-[2-cyclohexyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-4-methyl-1,3-oxathiolan-2-yl]butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-cyclohexyl-4-methyl-1,3-oxathiolan-2-yl]butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-cyclohexyl-4-methyl-1,3-oxathiolan-2-yl]butanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-cyclohexyl-4-methyl-1,3-oxathiolan-2-yl]butanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-cyclohexyl-4-methyl-1,3-oxathiolan-2-yl]butyric acid Formula: C28H42O6S2 MolecularWeight: 538.75948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2(COC(S2)(CCCC(=O)O)C3CCCCC3)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2(COC(S2)(CCCC(=O)O)C3CCCCC3)C

InChI

InChI=1S/C28H42O6S2/c1-4-10-23-24(15-14-22(20(2)29)26(23)32)33-17-9-18-35-27(3)19-34-28(36-27,16-8-13-25(30)31)21-11-6-5-7-12-21/h14-15,21,32H,4-13,16-19H2,1-3H3,(H,30,31)