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QV8

Summary
Name:9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
Synonyms:Acid blue 25
Formula:C20 H13 N O5 S
Formal charge:0
Formula weight:379.386 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.019,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
OpenEye OEToolkits1.7.09,10-dioxo-4-phenylazanyl-anthracene-2-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(c3)Nc4ccccc4
SMILES_CANONICALCACTVS3.370O[S](=O)(=O)c1cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1
SMILESCACTVS3.370O[S](=O)(=O)c1cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O
InChIInChI1.03InChI=1S/C20H13NO5S/c22-19-14-8-4-5-9-15(14)20(23)18-16(19)10-13(27(24,25)26)11-17(18)21-12-6-2-1-3-7-12/h1-11,21H,(H,24,25,26)
InChIKeyInChI1.03AAKZMFOUEBXRTE-UHFFFAOYSA-N

223790

数据于2024-08-14公开中

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