[2-(3-iodanylpropanoylamino)-5-(trioxidanylsulfanyl)phenyl] 3-iodanylpropanoate

Systemtic Name: [2-(3-iodanylpropanoylamino)-5-(trioxidanylsulfanyl)phenyl] 3-iodanylpropanoate Openeye Name: [2-(3-iodopropanoylamino)-5-(trioxidanylsulfanyl)phenyl] 3-iodopropanoate CAS Name: 3-iodopropanoic acid [2-[(3-iodo-1-oxopropyl)amino]-5-(trioxidanylthio)phenyl] ester IUPAC Name: [2-(3-iodopropanoylamino)-5-(trioxidanylsulfanyl)phenyl] 3-iodopropanoate Traditional Name: 3-iodopropionic acid [2-(3-iodopropanoylamino)-5-(trioxidanylthio)phenyl] ester Formula: C12H13I2NO6S MolecularWeight: 553.10866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SOOO)OC(=O)CCI)NC(=O)CCI

Isomeric SMILES

C1=CC(=C(C=C1SOOO)OC(=O)CCI)NC(=O)CCI

InChI

InChI=1S/C12H13I2NO6S/c13-5-3-11(16)15-9-2-1-8(22-21-20-18)7-10(9)19-12(17)4-6-14/h1-2,7,18H,3-6H2,(H,15,16)