9H2
Summary
Name: | 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol |
Formula: | C11 H9 I2 N O2 |
Formal charge: | 0 |
Formula weight: | 441.004 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C11H9I2NO2/c12-8-5-7(6-15)11(16)9(13)10(8)14-3-1-2-4-14/h1-5,15-16H,6H2 |
InChIKey | InChI | 1.03 | AGXLMIQMLKHIFZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCc1cc(I)c(n2cccc2)c(I)c1O |
SMILES | CACTVS | 3.385 | OCc1cc(I)c(n2cccc2)c(I)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccn(c1)c2c(cc(c(c2I)O)CO)I |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccn(c1)c2c(cc(c(c2I)O)CO)I |