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VED

Summary
Name:3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid
Formula:C24 H18 O6
Formal charge:0
Formula weight:402.396 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid
OpenEye OEToolkits2.0.73-[3-(2-hydroxy-2-oxoethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4(cccc(c2c(CC(O)=O)c1ccc(cc1o2)c3cc(ccc3)OC)c4)C(O)=O
InChIInChI1.03InChI=1S/C24H18O6/c1-29-18-7-3-4-14(11-18)15-8-9-19-20(13-22(25)26)23(30-21(19)12-15)16-5-2-6-17(10-16)24(27)28/h2-12H,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyInChI1.03OXXURMYRXBYXOG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(c1)c2ccc3c(CC(O)=O)c(oc3c2)c4cccc(c4)C(O)=O
SMILESCACTVS3.385COc1cccc(c1)c2ccc3c(CC(O)=O)c(oc3c2)c4cccc(c4)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)C(=O)O
SMILESOpenEye OEToolkits2.0.7COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)C(=O)O

222415

数据于2024-07-10公开中

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