sodium 3-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: sodium 3-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: sodium 3-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: sodium 3-(2,5-dimethyl-1-pyrrolyl)benzoate IUPAC Name: sodium 3-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: sodium 3-(2,5-dimethylpyrrol-1-yl)benzoate Formula: C13H12NNaO2 MolecularWeight: 237.22965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C13H13NO2.Na/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16;/h3-8H,1-2H3,(H,15,16);/q;+1/p-1