[3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-iodanylpropanoate

Systemtic Name: [3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-iodanylpropanoate Openeye Name: [3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-iodopropanoate CAS Name: 3-iodopropanoic acid [3,5-dimethyl-4-(trioxidanylthio)phenyl] ester IUPAC Name: [3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-iodopropanoate Traditional Name: 3-iodopropionic acid [3,5-dimethyl-4-(trioxidanylthio)phenyl] ester Formula: C11H13IO5S MolecularWeight: 384.18739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SOOO)C)OC(=O)CCI

Isomeric SMILES

CC1=CC(=CC(=C1SOOO)C)OC(=O)CCI

InChI

InChI=1S/C11H13IO5S/c1-7-5-9(15-10(13)3-4-12)6-8(2)11(7)18-17-16-14/h5-6,14H,3-4H2,1-2H3