CP5
Summary
| Name: | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE |
| Formula: | C9 H6 O5 P |
| Formal charge: | -1 |
| Formula weight: | 225.115 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z)-3-{[oxido(oxo)phosphanyl]oxy}-2-phenylprop-2-enoate |
| OpenEye OEToolkits | 1.5.0 | (Z)-2-phenyl-3-phosphooxy-prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C([O-])\C(=C/OP(=O)=O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6- |
| InChIKey | InChI | 1.03 | WSMRUPUEYOBWRC-VURMDHGXSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-]C(=O)C(=C\O[P](=O)=O)/c1ccccc1 |
| SMILES | CACTVS | 3.385 | [O-]C(=O)C(=CO[P](=O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | c1ccc(cc1)/C(=C/OP(=O)=O)/C(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.5 | c1ccc(cc1)C(=COP(=O)=O)C(=O)[O-] |
