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BKY

Summary
Name:4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid
Formula:C24 H16 O5
Formal charge:0
Formula weight:384.381 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid
OpenEye OEToolkits2.0.64-[[2-[[1,3-bis(oxidanylidene)inden-2-ylidene]methyl]phenoxy]methyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccc(cc1)COc2c(cccc2)\C=C4/C(c3c(cccc3)C4=O)=O)C(O)=O
InChIInChI1.03InChI=1S/C24H16O5/c25-22-18-6-2-3-7-19(18)23(26)20(22)13-17-5-1-4-8-21(17)29-14-15-9-11-16(12-10-15)24(27)28/h1-13H,14H2,(H,27,28)
InChIKeyInChI1.03NRIDPHPNVUPLOD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(COc2ccccc2C=C3C(=O)c4ccccc4C3=O)cc1
SMILESCACTVS3.385OC(=O)c1ccc(COc2ccccc2C=C3C(=O)c4ccccc4C3=O)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O

222624

PDB entries from 2024-07-17

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