Name: Isosulfan blue
Rating: 5 (10 reviews)

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HIT ID:HIT214314774
Cas No:68238-36-8
常用名:Isosulfan blue
别名:提纯专利兰紫
IUPAC:2-{[4-(diethylamino)phenyl][4-(diethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-4-sulfobenzene-1-sulfonate sodium
IUPAC:2-{[4-(diethylamino)phenyl][4-(diethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-4-sulfobenzene-1-sulfonate sodium
InChI key:AVZOEHZTSPLXBS-UHFFFAOYSA-N

分子式:C27H32N2NaO6S2
分子量:567.67
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na;v0].[#6]-[#6]-[#7](-[#6]-[#6])-c1ccc(cc1)-[#6](=[#6]-1/[#6]=[#6]\[#6](\[#6]=[#6]-1)=[#7+](/[#6]-[#6])-[#6]-[#6])\c1cc(ccc1S([#8-])(=O)=O)S([#8])(=O)=O |c:14,17|
SMILES:[Na;v0].[#6]-[#6]-[#7](-[#6]-[#6])-c1ccc(cc1)-[#6](=[#6]-1/[#6]=[#6]\[#6](\[#6]=[#6]-1)=[#7+](/[#6]-[#6])-[#6]-[#6])\c1cc(ccc1S([#8-])(=O)=O)S([#8])(=O)=O |c:14,17|

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