XTT ,111072-31-2 _Chemical Cloud Database

XTT

Basic Information
Product Name：	XTT
CAS：	111072-31-2
English Synonyms：	XTT ; SODIUM 3,3'-[1-[(PHENYLAMINO)CARBONYL]-3,4-TETRAZOLIUM]BIS (4-METHOXY-6-NITRO)BENZENE SULFONIC ACID HYDRATE
MDL Number.：	MFCD00191206
H bond acceptor：	20
H bond donor：	1
Smile：	COc1cc(c(cc1[n+]2cn(n[n+]2c3cc(c(cc3OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)Nc4ccccc4)S(=O)(=O)[O-])[N+](=O)[O-].O.[Na+].[Na+]
InChi：	InChI=1S/C22H19N7O13S2.2Na.H2O/c1-41-18-8-16(28(31)32)20(43(35,36)37)10-14(18)26-12-25(22(30)23-13-6-4-3-5-7-13)24-27(26)15-11-21(44(38,39)40)17(29(33)34)9-19(15)42-2;;;/h3-12H,1-2H3,(H,23,30)(H,35,36,37)(H,38,39,40);;;1H2/q+2;2*+1;/p-2
InChiKey：	InChIKey=SMMXXSHVXMDMND-UHFFFAOYSA-L
Property
Safety information
WGK Germany：	3

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