NSQ
Summary
| Name: | 4-nitrophenyl alpha-D-6-sulfoquinovoside |
| Synonyms: | 4-NITROPHENYL-ALPHA-D-SULFOQUINOVOSIDE |
| Formula: | C12 H15 N O10 S |
| Formal charge: | 0 |
| Formula weight: | 365.313 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | [(2S,3S,4S,5R,6R)-6-(4-nitrophenoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO10S/c14-9-8(5-24(19,20)21)23-12(11(16)10(9)15)22-7-3-1-6(2-4-7)13(17)18/h1-4,8-12,14-16H,5H2,(H,19,20,21)/t8-,9-,10+,11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | JRVQBBIDMNDOQV-ZIQFBCGOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](O)[C@@H](C[S](O)(=O)=O)O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](C[S](O)(=O)=O)O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CS(=O)(=O)O)O)O)O |
