IAN
Summary
| Name: | methyl hydrogen (R)-[(R)-methoxy(phenyl)methyl]phosphonate |
| Formula: | C9 H13 O4 P |
| Formal charge: | 0 |
| Formula weight: | 216.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl hydrogen (R)-[(R)-methoxy(phenyl)methyl]phosphonate |
| OpenEye OEToolkits | 1.7.0 | methoxy-[(R)-methoxy(phenyl)methyl]phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(OC)C(OC)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@@H](c1ccccc1)[P](O)(=O)OC |
| SMILES | CACTVS | 3.370 | CO[CH](c1ccccc1)[P](O)(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CO[C@@H](c1ccccc1)[P@@](=O)(O)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | COC(c1ccccc1)P(=O)(O)OC |
| InChI | InChI | 1.03 | InChI=1S/C9H13O4P/c1-12-9(14(10,11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,10,11)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | YPAATCUNRIAADK-SECBINFHSA-N |
