HPS
Summary
Name: | PHENYL DIHYDROGEN PHOSPHATE |
Synonyms: | PHENYLPHOSPHATE |
Formula: | C6 H7 O4 P |
Formal charge: | 0 |
Formula weight: | 174.091 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | phenyl dihydrogen phosphate |
OpenEye OEToolkits | 1.5.0 | phenyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(Oc1ccccc1)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)Oc1ccccc1 |
SMILES | CACTVS | 3.341 | O[P](O)(=O)Oc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) |
InChIKey | InChI | 1.03 | CMPQUABWPXYYSH-UHFFFAOYSA-N |