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E91

Summary
Name:4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid
Formula:C21 H14 N2 O2
Formal charge:0
Formula weight:326.348 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid
OpenEye OEToolkits1.7.64-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccc(cc1)\C=N\N=C4/c2ccccc2c3c4cccc3
InChIInChI1.03InChI=1S/C21H14N2O2/c24-21(25)15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H,(H,24,25)/b22-13+
InChIKeyInChI1.03UDYNXPSETJWNEU-LPYMAVHISA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(cc1)\C=N\N=C2c3ccccc3c4ccccc24
SMILESCACTVS3.385OC(=O)c1ccc(cc1)C=NN=C2c3ccccc3c4ccccc24
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)-c3ccccc3C2=NN=Cc4ccc(cc4)C(=O)O

222415

数据于2024-07-10公开中

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