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FDS

Summary
Name:FLUORESCIN
Formula:C20 H14 O5
Formal charge:0
Formula weight:334.322 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid
OpenEye OEToolkits1.5.02-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1ccccc1C3c4c(Oc2c3ccc(O)c2)cc(O)cc4
SMILES_CANONICALCACTVS3.341OC(=O)c1ccccc1[C@@H]2c3ccc(O)cc3Oc4cc(O)ccc24
SMILESCACTVS3.341OC(=O)c1ccccc1[CH]2c3ccc(O)cc3Oc4cc(O)ccc24
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O
InChIInChI1.03InChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,19,21-22H,(H,23,24)
InChIKeyInChI1.03MURGITYSBWUQTI-UHFFFAOYSA-N

223532

數據於2024-08-07公開中

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