Y3
Summary
| Name: | 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID |
| Formula: | C12 H11 N O8 S2 |
| Formal charge: | 0 |
| Formula weight: | 361.348 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(acetylamino)-5-hydroxynaphthalene-2,7-disulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 4-acetamido-5-hydroxy-naphthalene-2,7-disulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)c1cc(NC(=O)C)c2c(c1)cc(cc2O)S(=O)(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O)[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO8S2/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21) |
| InChIKey | InChI | 1.03 | DACUJXBUANTBKE-UHFFFAOYSA-N |
