EOP
Summary
| Name: | {ETHANE-1,2-DIYLBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID) |
| Synonyms: | 2,2'-(ETHANE-1,2-DIYLBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID |
| Formula: | C6 H14 N2 O8 P2 |
| Formal charge: | 0 |
| Formula weight: | 304.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | [2-oxo-2-[2-(2-phosphonoethanoylamino)ethylamino]ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCNC(=O)CP(=O)(O)O)CP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)CC(=O)NCCNC(=O)C[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)CC(=O)NCCNC(=O)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H14N2O8P2/c9-5(3-17(11,12)13)7-1-2-8-6(10)4-18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16) |
| InChIKey | InChI | 1.03 | RPUNQQORCLHWTD-UHFFFAOYSA-N |
