HIT ID: HIT214314774
Cas No: 68238-36-8
分子式: C27H32N2NaO6S2
分子量: 567.67
常用名: Isosulfan blue
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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|
InChI key: AVZOEHZTSPLXBS-UHFFFAOYSA-N
