Name: 3,6-diamino-9-[2-carboxy-4-(2,3,5,6-tetrafluorophenoxycarbonyl)phenyl]-5-sulfo-10lambda4-xanthen-10-ylium-4-sulfonate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT221058951
Cas No:
常用名:3,6-diamino-9-[2-carboxy-4-(2,3,5,6-tetrafluorophenoxycarbonyl)phenyl]-5-sulfo-10lambda4-xanthen-10-ylium-4-sulfonate
常用名:3,6-diamino-9-[2-carboxy-4-(2,3,5,6-tetrafluorophenoxycarbonyl)phenyl]-5-sulfo-10lambda4-xanthen-10-ylium-4-sulfonate
IUPAC:3,6-diamino-9-{2-carboxy-4-[(2,3,5,6-tetrafluorophenoxy)carbonyl]phenyl}-5-sulfo-10lambda4-xanthen-10-ylium-4-sulfonate
IUPAC:3,6-diamino-9-{2-carboxy-4-[(2,3,5,6-tetrafluorophenoxy)carbonyl]phenyl}-5-sulfo-10lambda4-xanthen-10-ylium-4-sulfonate
InChI key:InChIKey=FNHCKHVVJWMRNT-UHFFFAOYSA-N

分子式:C27H14F4N2O11S2
分子量:682.53
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)Oc3c(F)c(F)cc(F)c3F)c3ccc(N)c(c3[o+]c2c1S(O)(=O)=O)S([O-])(=O)=O
SMILES:Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)Oc3c(F)c(F)cc(F)c3F)c3ccc(N)c(c3[o+]c2c1S(O)(=O)=O)S([O-])(=O)=O

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