BR3
Summary
| Name: | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE |
| Formula: | C11 H14 O3 P |
| Formal charge: | -1 |
| Formula weight: | 225.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl}phosphinate |
| OpenEye OEToolkits | 1.5.0 | [(2S)-6-methylchroman-2-yl]methylphosphinate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]P(=O)CC2Oc1ccc(cc1CC2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc2O[C@@H](CCc2c1)C[PH]([O-])=O |
| SMILES | CACTVS | 3.341 | Cc1ccc2O[CH](CCc2c1)C[PH]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc2c(c1)CC[C@H](O2)C[P@H](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc2c(c1)CCC(O2)CP(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C11H15O3P/c1-8-2-5-11-9(6-8)3-4-10(14-11)7-15(12)13/h2,5-6,10,15H,3-4,7H2,1H3,(H,12,13)/p-1/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | QTHZTDVLJRQOGF-JTQLQIEISA-M |
