2-[3-acetyloxy-3-[2,2-dimethyl-3-oxidanylidene-3-(2-phenylmethoxyphenoxy)propyl]sulfanyl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-acetyloxy-3-[2,2-dimethyl-3-oxidanylidene-3-(2-phenylmethoxyphenoxy)propyl]sulfanyl-propyl]sulfanylethanoic acid Openeye Name: 2-[3-acetoxy-3-[3-(2-benzyloxyphenoxy)-2,2-dimethyl-3-oxo-propyl]sulfanyl-propyl]sulfanylacetic acid CAS Name: 2-[[3-acetyloxy-3-[[2,2-dimethyl-3-oxo-3-(2-phenylmethoxyphenoxy)propyl]thio]propyl]thio]acetic acid IUPAC Name: 2-[3-acetyloxy-3-[2,2-dimethyl-3-oxo-3-(2-phenylmethoxyphenoxy)propyl]sulfanylpropyl]sulfanylacetic acid Traditional Name: 2-[[3-acetoxy-3-[[3-(2-benzoxyphenoxy)-3-keto-2,2-dimethyl-propyl]thio]propyl]thio]acetic acid Formula: C25H30O7S2 MolecularWeight: 506.6315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCSCC(=O)O)SCC(C)(C)C(=O)OC1=CC=CC=C1OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(CCSCC(=O)O)SCC(C)(C)C(=O)OC1=CC=CC=C1OCC2=CC=CC=C2

InChI

InChI=1S/C25H30O7S2/c1-18(26)31-23(13-14-33-16-22(27)28)34-17-25(2,3)24(29)32-21-12-8-7-11-20(21)30-15-19-9-5-4-6-10-19/h4-12,23H,13-17H2,1-3H3,(H,27,28)