A1L5Z
Summary
| Name: | 4-oxidanyl-6-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid |
| Synonyms: | NSC-37204 |
| Formula: | C21 H16 N2 O9 S2 |
| Formal charge: | 0 |
| Formula weight: | 504.49 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-oxidanyl-6-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)5-11-1-3-13(7-17(11)19)22-21(26)23-14-4-2-12-6-16(34(30,31)32)10-20(25)18(12)8-14/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32) |
| InChIKey | InChI | 1.06 | XUMPVMRAPYSHRQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(cc2ccc(NC(=O)Nc3ccc4cc(cc(O)c4c3)[S](O)(=O)=O)cc12)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | Oc1cc(cc2ccc(NC(=O)Nc3ccc4cc(cc(O)c4c3)[S](O)(=O)=O)cc12)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc(cc2O)S(=O)(=O)O)NC(=O)Nc3ccc4cc(cc(c4c3)O)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc(cc2O)S(=O)(=O)O)NC(=O)Nc3ccc4cc(cc(c4c3)O)S(=O)(=O)O |
