0GA
Summary
| Name: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid |
| Formula: | C11 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 238.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-oxidanyl-3-[(Z)-1-oxidanyl-1-oxidanylidene-but-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\C)c1O |
| InChI | InChI | 1.03 | InChI=1S/C11H10O6/c1-2-7(11(15)16)17-8-5-3-4-6(9(8)12)10(13)14/h2-5,12H,1H3,(H,13,14)(H,15,16)/b7-2- |
| InChIKey | InChI | 1.03 | MPHSNGOSXHODDD-UQCOIBPSSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C/C=C(Oc1cccc(C(O)=O)c1O)/C(O)=O |
| SMILES | CACTVS | 3.370 | CC=C(Oc1cccc(C(O)=O)c1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC=C(C(=O)O)Oc1cccc(c1O)C(=O)O |
