P9X
Summary
| Name: | (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid |
| Synonyms: | Acifran |
| Formula: | C12 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 218.205 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | DFDGRKNOFOJBAJ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(OC(=CC1=O)C(O)=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[C]1(OC(=CC1=O)C(O)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]1(C(=O)C=C(O1)C(=O)O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(=O)C=C(O1)C(=O)O)c2ccccc2 |
