A1L5X
Summary
| Name: | Rhoduline Acid |
| Synonyms: | NSC-37203 |
| Formula: | C20 H15 N O8 S2 |
| Formal charge: | 0 |
| Formula weight: | 461.465 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-oxidanyl-7-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)amino]naphthalene-2-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H15NO8S2/c22-19-9-15(30(24,25)26)7-11-5-13(1-3-17(11)19)21-14-2-4-18-12(6-14)8-16(10-20(18)23)31(27,28)29/h1-10,21-23H,(H,24,25,26)(H,27,28,29) |
| InChIKey | InChI | 1.06 | BQVLLTHCZQAJNH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(cc2cc(Nc3ccc4c(O)cc(cc4c3)[S](O)(=O)=O)ccc12)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | Oc1cc(cc2cc(Nc3ccc4c(O)cc(cc4c3)[S](O)(=O)=O)ccc12)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3ccc4c(c3)cc(cc4O)S(=O)(=O)O)cc(cc2O)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3ccc4c(c3)cc(cc4O)S(=O)(=O)O)cc(cc2O)S(=O)(=O)O |
