InChI=1S/C40H30N10O6.2ClH/c1-55-37-23-29(19-21-35(37)47-43-39(27-11-5-3-6-12-27)41-45(47)31-15-9-17-33(25-31)49(51)52)30-20-22-36(38(24-30)56-2)48-44-40(28-13-7-4-8-14-28)42-46(48)32-16-10-18-34(26-32)50(53)54;;/h3-26H,1-2H3;2*1H/q+2;;/p-2

【InChIKey】

InChIKey=ULQIZYUDGJIPRV-UHFFFAOYSA-L

【SMILES】

COc1cc(ccc1[n+]2nc(nn2c3cccc(c3)[N+](=O)[O-])c4ccccc4)c5ccc(c(c5)OC)[n+]6nc(nn6c7cccc(c7)[N+](=O)[O-])c8ccccc8.[Cl-].[Cl-]

【MOL File】

3-NITROTETRAZOLIUM B….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:0

H bond acceptor:16

XLogP3:4.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

3-NITROTETRAZOLIUM BLUE CHLORIDE.cml

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127615-60-5 3-NITROTETRAZOLIUM BLUE CHLORIDE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】