830
Summary
| Name: | dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate |
| Formula: | C17 H18 K2 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 425.499 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [K]OP(=O)(O[K])CC(=O)NCCCc2cc(Oc1ccccc1)ccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | [K]O[P](=O)(CC(=O)NCCCc1cccc(Oc2ccccc2)c1)O[K] |
| SMILES | CACTVS | 3.341 | [K]O[P](=O)(CC(=O)NCCCc1cccc(Oc2ccccc2)c1)O[K] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O[K])O[K] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O[K])O[K] |
| InChI | InChI | 1.03 | InChI=1S/C17H20NO5P.2K/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15;;/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2 |
| InChIKey | InChI | 1.03 | VIIVNJCQPLUIGT-UHFFFAOYSA-L |
