4-[3,5-bis(trifluoromethyl)phenyl]-1-(carboxymethyl)pyrrole-3-carboxylic acid

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1-(carboxymethyl)pyrrole-3-carboxylic acid Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1-(carboxymethyl)pyrrole-3-carboxylic acid CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1-(carboxymethyl)-3-pyrrolecarboxylic acid IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1-(carboxymethyl)pyrrole-3-carboxylic acid Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1-(carboxymethyl)pyrrole-3-carboxylic acid Formula: C15H9F6NO4 MolecularWeight: 381.226679

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=CN(C=C2C(=O)O)CC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=CN(C=C2C(=O)O)CC(=O)O

InChI

InChI=1S/C15H9F6NO4/c16-14(17,18)8-1-7(2-9(3-8)15(19,20)21)10-4-22(6-12(23)24)5-11(10)13(25)26/h1-5H,6H2,(H,23,24)(H,25,26)