P2C
Summary
| Name: | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID |
| Synonyms: | 2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID |
| Formula: | C13 H9 Cl2 N O5 |
| Formal charge: | 0 |
| Formula weight: | 330.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(3,5-dichloro-4-trioxidanylphenyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(3,5-dichloro-4-hydroxyperoxy-phenyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(cc(Cl)c1OOO)Nc2ccccc2C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OOOc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl |
| SMILES | CACTVS | 3.341 | OOOc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl |
| InChI | InChI | 1.03 | InChI=1S/C13H9Cl2NO5/c14-9-5-7(6-10(15)12(9)20-21-19)16-11-4-2-1-3-8(11)13(17)18/h1-6,16,19H,(H,17,18) |
| InChIKey | InChI | 1.03 | SNAMTVTZDPUVRA-UHFFFAOYSA-N |
