4-[4-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propylsulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]butanoic acid

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propylsulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propylsulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]butanoic acid CAS Name: 4-[4-[[3-(4-acetyl-3-methoxy-2-propylphenoxy)propylthio]methyl]-2-methyl-1,3-dithiolan-2-yl]butanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propylsulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]butanoic acid Traditional Name: 4-[4-[[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propylthio]methyl]-2-methyl-1,3-dithiolan-2-yl]butyric acid Formula: C24H36O5S3 MolecularWeight: 500.73464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCSCC2CSC(S2)(C)CCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCSCC2CSC(S2)(C)CCCC(=O)O

InChI

InChI=1S/C24H36O5S3/c1-5-8-20-21(11-10-19(17(2)25)23(20)28-4)29-13-7-14-30-15-18-16-31-24(3,32-18)12-6-9-22(26)27/h10-11,18H,5-9,12-16H2,1-4H3,(H,26,27)