H9X
Summary
| Name: | 5-bromanyl-N2-[(4-bromophenyl)-bis(oxidanyl)-$l^4-sulfanyl]-N1,N1,N3,N3-tetrakis(oxidanyl)benzene-1,2,3-triamine |
| Formula: | C12 H13 Br2 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 487.121 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-~{N}2-[(4-bromophenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-~{N}1,~{N}1,~{N}3,~{N}3-tetrakis(oxidanyl)benzene-1,2,3-triamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13Br2N3O6S/c13-7-1-3-9(4-2-7)24(22,23)15-12-10(16(18)19)5-8(14)6-11(12)17(20)21/h1-6,15,18-23H |
| InChIKey | InChI | 1.03 | NHTMTRVPPRZTCB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON(O)c1cc(Br)cc(N(O)O)c1N[S](O)(O)c2ccc(Br)cc2 |
| SMILES | CACTVS | 3.385 | ON(O)c1cc(Br)cc(N(O)O)c1N[S](O)(O)c2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(Nc2c(cc(cc2N(O)O)Br)N(O)O)(O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(Nc2c(cc(cc2N(O)O)Br)N(O)O)(O)O)Br |
