| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1SCC(C(=O)O)N)[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1[N+](=O)[O-])SC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1[N+](=O)[O-])SCC(C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C9H8N4O8S/c10-5(9(14)15)3-22-8-6(12(18)19)1-4(11(16)17)2-7(8)13(20)21/h1-2,5H,3,10H2,(H,14,15)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | HZVLUUGPGJKXHN-YFKPBYRVSA-N |
