A1JFO
Summary
| Name: | 3-[3,5-bis(chloranyl)phenyl]-4-methyl-5-phenyl-1~{H}-pyrrole-2-carboxylic acid |
| Formula: | C18 H13 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 346.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3,5-bis(chloranyl)phenyl]-4-methyl-5-phenyl-1~{H}-pyrrole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H13Cl2NO2/c1-10-15(12-7-13(19)9-14(20)8-12)17(18(22)23)21-16(10)11-5-3-2-4-6-11/h2-9,21H,1H3,(H,22,23) |
| InChIKey | InChI | 1.06 | COFGIIZMRDUUOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c([nH]c(C(O)=O)c1c2cc(Cl)cc(Cl)c2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Cc1c([nH]c(C(O)=O)c1c2cc(Cl)cc(Cl)c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c([nH]c1c2ccccc2)C(=O)O)c3cc(cc(c3)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c([nH]c1c2ccccc2)C(=O)O)c3cc(cc(c3)Cl)Cl |
