Specification: |
The D-Luciferin 6'-O-phosphate trisodium salt with its cas register number is 145613-12-3. It also can be called as 4-Thiazolecarboxylicacid, 4,5-dihydro-2-[6-(phosphonooxy)-2-benzothiazolyl]-, trisodium salt, (S)-(9CI) and the Systematic name about this chemical is trisodium (4S)-2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate. When you are using it, please not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].O=C([O-])[C@@H]1/N=C(\SC1)c2sc3cc(OP([O-])([O-])=O)ccc3n2
(2)InChI: InChI=1/C11H9N2O6PS2.3Na/c14-11(15)7-4-21-9(13-7)10-12-6-2-1-5(3-8(6)22-10)19-20(16,17)18;;;/h1-3,7H,4H2,(H,14,15)(H2,16,17,18);;;/q;3*+1/p-3/t7-;;;/m1.../s1
(3)InChIKey: QVWNEBIRLVIOBC-VFXGFGPVBD
(4)Std. InChI: InChI=1S/C11H9N2O6PS2.3Na/c14-11(15)7-4-21-9(13-7)10-12-6-2-1-5(3-8(6)22-10)19-20(16,17)18;;;/h1-3,7H,4H2,(H,14,15)(H2,16,17,18);;;/q;3*+1/p-3/t7-;;;/m1.../s1
(5)Std. InChIKey: QVWNEBIRLVIOBC-LSBIWMFESA-K
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