TK4
Summary
| Name: | 2-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACID |
| Formula: | C12 H11 N O7 S2 |
| Formal charge: | 0 |
| Formula weight: | 345.348 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(acetylamino)naphthalene-1,5-disulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 2-acetamidonaphthalene-1,5-disulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)c1cccc2c1ccc(NC(=O)C)c2S(=O)(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1ccc2c(cccc2[S](O)(=O)=O)c1[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Nc1ccc2c(cccc2[S](O)(=O)=O)c1[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO7S2/c1-7(14)13-10-6-5-8-9(12(10)22(18,19)20)3-2-4-11(8)21(15,16)17/h2-6H,1H3,(H,13,14)(H,15,16,17)(H,18,19,20) |
| InChIKey | InChI | 1.03 | WGOQGHNONXFNJQ-UHFFFAOYSA-N |
