9GZ

?

Summary

Name:5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
Formula:C17 H11 F I N O3
Formal charge:0
Molecular weight:423.177 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.65-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H11FINO3/c18-11-5-3-10(4-6-11)12-9-13(17(22)23)16(21)14(19)15(12)20-7-1-2-8-20/h1-9,21H,(H,22,23)
InChIKeyInChI1.03PZAQSVDHGPHHRK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(c2ccc(F)cc2)c(n3cccc3)c(I)c1O
SMILESCACTVS3.385OC(=O)c1cc(c2ccc(F)cc2)c(n3cccc3)c(I)c1O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F
SMILESOpenEye OEToolkits2.0.6c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F