HIT ID: HIT212018288
Cas No: 115532-50-8
分子式: C25H25ClN2O7
分子量: 500.93
常用名: TMRM Perchlorate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 5.882083
IUPAC: 6-(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]-N,N-dimethyl-3H-xanthen-3-iminium perchlorate
IUPAC: 6-(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]-N,N-dimethyl-3H-xanthen-3-iminium perchlorate
SMILES: [#8-]Cl(=O)(=O)=O.[#6]-[#8]-[#6](=O)-c1ccccc1-c1c2ccc(cc2oc2c\c(ccc12)=[#7+](/[#6])-[#6])-[#7](-[#6])-[#6]
SMILES: [#8-]Cl(=O)(=O)=O.[#6]-[#8]-[#6](=O)-c1ccccc1-c1c2ccc(cc2oc2c\c(ccc12)=[#7+](/[#6])-[#6])-[#7](-[#6])-[#6]
InChI key: PFYWPQMAWCYNGW-UHFFFAOYSA-M
