RVE
Summary
| Name: | 3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid |
| Formula: | C10 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 224.167 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-oxidanyl-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(O/C(C(=O)O)=C)c1O |
| InChI | InChI | 1.03 | InChI=1S/C10H8O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,11H,1H2,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.03 | RFJWXQPFGYFIBS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C(=C)Oc1cccc(C(O)=O)c1O |
| SMILES | CACTVS | 3.370 | OC(=O)C(=C)Oc1cccc(C(O)=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=C(C(=O)O)Oc1cccc(c1O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=C(C(=O)O)Oc1cccc(c1O)C(=O)O |
