20C
Summary
| Name: | 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid |
| Synonyms: | 2-hydroxy-4-(4-methyl-1,3-dioxo-2,3-dihydro-1H- isoindol-2-yl)benzoic acid |
| Formula: | C16 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 297.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid |
| OpenEye OEToolkits | 1.6.1 | 2-hydroxy-4-(4-methyl-1,3-dioxo-isoindol-2-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)c1ccc(cc1O)N3C(=O)c2cccc(c2C3=O)C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1cccc2C(=O)N(c3ccc(C(O)=O)c(O)c3)C(=O)c12 |
| SMILES | CACTVS | 3.352 | Cc1cccc2C(=O)N(c3ccc(C(O)=O)c(O)c3)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cccc2c1C(=O)N(C2=O)c3ccc(c(c3)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cccc2c1C(=O)N(C2=O)c3ccc(c(c3)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H11NO5/c1-8-3-2-4-11-13(8)15(20)17(14(11)19)9-5-6-10(16(21)22)12(18)7-9/h2-7,18H,1H3,(H,21,22) |
| InChIKey | InChI | 1.03 | SPKSOWKQTVDRTK-UHFFFAOYSA-N |
