4-(2,5-dimethylpyrrol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)benzenesulfonic acid Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)benzenesulfonic acid CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzenesulfonic acid IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)benzenesulfonic acid Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)besylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C12H13NO3S/c1-9-3-4-10(2)13(9)11-5-7-12(8-6-11)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)