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3G5

Summary
Name:4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid
Formula:C16 H8 Br2 O5
Formal charge:0
Formula weight:440.04 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid
OpenEye OEToolkits1.9.24-[6,8-bis(bromanyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c3ccc(C=2Oc1c(Br)cc(Br)cc1C(=O)C=2O)cc3
InChIInChI1.03InChI=1S/C16H8Br2O5/c17-9-5-10-12(19)13(20)14(23-15(10)11(18)6-9)7-1-3-8(4-2-7)16(21)22/h1-6,20H,(H,21,22)
InChIKeyInChI1.03GDOSILZXICLCEI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(cc1)C2=C(O)C(=O)c3cc(Br)cc(Br)c3O2
SMILESCACTVS3.385OC(=O)c1ccc(cc1)C2=C(O)C(=O)c3cc(Br)cc(Br)c3O2
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O
SMILESOpenEye OEToolkits1.9.2c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O

227344

건을2024-11-13부터공개중

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