EOB
Summary
Name: | {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID) |
Synonyms: | 2,2'-(1,3-PHENYLENEBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID |
Formula: | C10 H14 N2 O8 P2 |
Formal charge: | 0 |
Formula weight: | 352.174 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | {benzene-1,3-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) |
OpenEye OEToolkits | 1.5.0 | [2-oxo-2-[[3-(2-phosphonoethanoylamino)phenyl]amino]ethyl]phosphonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc1cccc(c1)NC(=O)CP(=O)(O)O)CP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)CC(=O)Nc1cccc(NC(=O)C[P](O)(O)=O)c1 |
SMILES | CACTVS | 3.341 | O[P](O)(=O)CC(=O)Nc1cccc(NC(=O)C[P](O)(O)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C10H14N2O8P2/c13-9(5-21(15,16)17)11-7-2-1-3-8(4-7)12-10(14)6-22(18,19)20/h1-4H,5-6H2,(H,11,13)(H,12,14)(H2,15,16,17)(H2,18,19,20) |
InChIKey | InChI | 1.03 | BHGKTXYPXMTFLT-UHFFFAOYSA-N |