BXS
Summary
| Name: | (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid |
| Formula: | C12 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 250.204 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid |
| OpenEye OEToolkits | 2.0.6 | (~{Z})-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(C([C@H]=C(C(O)=O)O)=O)cc2c(c1)OCCO2 |
| InChI | InChI | 1.03 | InChI=1S/C12H10O6/c13-8(6-9(14)12(15)16)7-1-2-10-11(5-7)18-4-3-17-10/h1-2,5-6,14H,3-4H2,(H,15,16)/b9-6- |
| InChIKey | InChI | 1.03 | PXVGKLGOADHWIZ-TWGQIWQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C(O)=C\C(=O)c1ccc2OCCOc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)C(O)=CC(=O)c1ccc2OCCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C(=O)/C=C(/C(=O)O)\O)OCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C(=O)C=C(C(=O)O)O)OCCO2 |
