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A1EP9

Summary
Name:(2~{R},3~{R})-2-phenyl-3-(phenylmethyl)cyclopropane-1,1-dicarboxylic acid
Formula:C18 H16 O4
Formal charge:0
Formula weight:296.317 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R},3~{R})-2-phenyl-3-(phenylmethyl)cyclopropane-1,1-dicarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H16O4/c19-16(20)18(17(21)22)14(11-12-7-3-1-4-8-12)15(18)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,19,20)(H,21,22)/t14-,15+/m1/s1
InChIKeyInChI1.06FEPODUVKSSAVKJ-CABCVRRESA-N
SMILES_CANONICALCACTVS3.385OC(=O)C1([C@H](Cc2ccccc2)[C@@H]1c3ccccc3)C(O)=O
SMILESCACTVS3.385OC(=O)C1([CH](Cc2ccccc2)[CH]1c3ccccc3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)C[C@@H]2[C@@H](C2(C(=O)O)C(=O)O)c3ccccc3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC2C(C2(C(=O)O)C(=O)O)c3ccccc3

254917

PDB entries from 2026-06-10

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