BVS
Summary
| Name: | (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid |
| Formula: | C11 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 206.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid |
| OpenEye OEToolkits | 2.0.6 | (~{Z})-4-(4-methylphenyl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(/C(c1ccc(C)cc1)=O)=C(\C(O)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H10O4/c1-7-2-4-8(5-3-7)9(12)6-10(13)11(14)15/h2-6,13H,1H3,(H,14,15)/b10-6- |
| InChIKey | InChI | 1.03 | HTHFQYJFCHROLP-POHAHGRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)C(=O)/C=C(O)/C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)C(=O)C=C(O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)C(=O)C=C(C(=O)O)O |
