JQ5
Summary
Name: | 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid |
Formula: | C6 H11 O6 P |
Formal charge: | 0 |
Formula weight: | 210.122 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C6H11O6P/c1-2-12-13(10,11)6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)(H,10,11) |
InChIKey | InChI | 1.03 | YEJCRQSMXRSGOQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCO[P](O)(=O)C(=O)CCC(O)=O |
SMILES | CACTVS | 3.385 | CCO[P](O)(=O)C(=O)CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOP(=O)(C(=O)CCC(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOP(=O)(C(=O)CCC(=O)O)O |