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A4F

Summary
Name:5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Synonyms:5-aminofluorescein
Formula:C20 H13 N O5
Formal charge:0
Formula weight:347.321 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
OpenEye OEToolkits1.9.25-azanyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(c1cc(N)ccc1C2=C4C=CC(C=C4Oc3c2ccc(c3)O)=O)=O
InChIInChI1.03InChI=1S/C20H13NO5/c21-10-1-4-13(16(7-10)20(24)25)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25)
InChIKeyInChI1.03UTUYQGGHTUQHQQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24
SMILESCACTVS3.385Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O
SMILESOpenEye OEToolkits1.9.2c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O

222624

數據於2024-07-17公開中

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