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ZT2

Summary
Name:5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
Formula:C18 H12 O5
Formal charge:0
Formula weight:308.285 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(E)-(2-oxo-2,3-dihydro-1H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
OpenEye OEToolkits1.9.25-[(E)-(2-oxidanylidene-3H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2C(\c1ccccc1C2)=C\c3ccc4OCOc4c3C(=O)O
InChIInChI1.03InChI=1S/C18H12O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7H,8-9H2,(H,20,21)/b13-7+
InChIKeyInChI1.03WRNAEMYUELGDPO-NTUHNPAUSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1c2OCOc2ccc1\C=C/3C(=O)Cc4ccccc/34
SMILESCACTVS3.385OC(=O)c1c2OCOc2ccc1C=C3C(=O)Cc4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)CC(=O)C2=Cc3ccc4c(c3C(=O)O)OCO4

222415

건을2024-07-10부터공개중

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