RVD
Summary
| Name: | 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid |
| Formula: | C12 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 252.22 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid |
| OpenEye OEToolkits | 1.7.2 | 2-oxidanyl-3-[(Z)-1-oxidanyl-1-oxidanylidene-pent-2-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\CC)c1O |
| SMILES_CANONICAL | CACTVS | 3.370 | CC\C=C(/Oc1cccc(C(O)=O)c1O)C(O)=O |
| SMILES | CACTVS | 3.370 | CCC=C(Oc1cccc(C(O)=O)c1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCC=C(C(=O)O)Oc1cccc(c1O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H12O6/c1-2-4-9(12(16)17)18-8-6-3-5-7(10(8)13)11(14)15/h3-6,13H,2H2,1H3,(H,14,15)(H,16,17)/b9-4- |
| InChIKey | InChI | 1.03 | NMNSLXCRMLAOLT-WTKPLQERSA-N |
