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DTC

Summary
Name:BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]
Synonyms:DICOUMAROL
Formula:C19 H12 O6
Formal charge:0
Formula weight:336.295 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3R,3'S)-3,3'-methanediylbis(2H-chromene-2,4(3H)-dione)
OpenEye OEToolkits1.7.23-[[2,4-bis(oxidanylidene)chromen-3-yl]methyl]chromene-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1c4ccccc4OC(=O)C1CC2C(=O)c3c(OC2=O)cccc3
InChIInChI1.03InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,12-13H,9H2/t12-,13+
InChIKeyInChI1.03HIZKPJUTKKJDGA-BETUJISGSA-N
SMILES_CANONICALCACTVS3.370O=C1Oc2ccccc2C(=O)[C@H]1C[C@@H]3C(=O)Oc4ccccc4C3=O
SMILESCACTVS3.370O=C1Oc2ccccc2C(=O)[CH]1C[CH]3C(=O)Oc4ccccc4C3=O
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O
SMILESOpenEye OEToolkits1.7.2c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O

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건을2024-07-17부터공개중

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