EOZ
Summary
| Name: | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID |
| Formula: | C11 H14 N2 O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 396.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,5-bis[(phosphonoacetyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 3,5-bis(2-phosphonoethanoylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1cc(cc(c1)NC(=O)CP(=O)(O)O)C(=O)O)CP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc(NC(=O)C[P](O)(O)=O)cc(NC(=O)C[P](O)(O)=O)c1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1cc(NC(=O)C[P](O)(O)=O)cc(NC(=O)C[P](O)(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O10P2/c14-9(4-24(18,19)20)12-7-1-6(11(16)17)2-8(3-7)13-10(15)5-25(21,22)23/h1-3H,4-5H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)(H2,21,22,23) |
| InChIKey | InChI | 1.03 | LGLZCZRWQTWLGU-UHFFFAOYSA-N |
