Name: Fluo-4 potassium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219200932
Cas No:1199351-32-0
常用名:Fluo-4 potassium
IUPAC:pentapotassium 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]-5-methylphenoxy}ethoxy)-4-(2,7-difluoro-6-oxido-3-oxo-3H-xanthen-9-yl)phenyl](carboxylatomethyl)amino}acetate
IUPAC:pentapotassium 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]-5-methylphenoxy}ethoxy)-4-(2,7-difluoro-6-oxido-3-oxo-3H-xanthen-9-yl)phenyl](carboxylatomethyl)amino}acetate
InChI key:NRYJZCDYBXXRAB-UHFFFAOYSA-I

分子式:C36H25F2K5N2O13
分子量:927.085
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[K+].[K+].[K+].[K+].[K+].Cc1ccc(N(CC([O-])=O)CC([O-])=O)c(OCCOc2cc(ccc2N(CC([O-])=O)CC([O-])=O)-c2c3cc(F)c([O-])cc3oc3cc(=O)c(F)cc23)c1
SMILES:[K+].[K+].[K+].[K+].[K+].Cc1ccc(N(CC([O-])=O)CC([O-])=O)c(OCCOc2cc(ccc2N(CC([O-])=O)CC([O-])=O)-c2c3cc(F)c([O-])cc3oc3cc(=O)c(F)cc23)c1

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