Name: NIR-Thiol dinitrobenzenesulfonate
Rating: 5 (10 reviews)

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HIT ID:HIT212672677
Cas No:
常用名:NIR-Thiol dinitrobenzenesulfonate
常用名:NIR-Thiol dinitrobenzenesulfonate
IUPAC:2-[(1E)-2-{6-[(2,4-dinitrobenzenesulfonyl)oxy]-2,3-dihydro-1H-xanthen-4-yl}ethenyl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium 2,4-dinitrobenzene-1-sulfonate
IUPAC:2-[(1E)-2-{6-[(2,4-dinitrobenzenesulfonyl)oxy]-2,3-dihydro-1H-xanthen-4-yl}ethenyl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium 2,4-dinitrobenzene-1-sulfonate
InChI key:LKUGARKBEIHOQY-IWSIBTJSSA-M

分子式:C39H33N5O15S2
分子量:875.83
氢键供体数 (HBD):0
氢键受体数 (HBA):7
LogP:4.2636786
SMILES:[O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S([O-])(=O)=O.CC[N+]1=C(\C=C\C2=C3Oc4cc(OS(=O)(=O)c5ccc(cc5[N+]([O-])=O)[N+]([O-])=O)ccc4C=C3CCC2)C(C)(C)c2ccccc12 |c:18,22,49|
SMILES:[O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S([O-])(=O)=O.CC[N+]1=C(\C=C\C2=C3Oc4cc(OS(=O)(=O)c5ccc(cc5[N+]([O-])=O)[N+]([O-])=O)ccc4C=C3CCC2)C(C)(C)c2ccccc12 |c:18,22,49|

NIR-Thiol dinitrobenzenesulfonate has both absorption and emission in the NIR region. It is capable of imaging endogenously produced thiol in living cells and mice.

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