3-(4-propan-2-ylphenyl)-1H-pyrrole-2-sulfonic acid

Systemtic Name: 3-(4-propan-2-ylphenyl)-1H-pyrrole-2-sulfonic acid Openeye Name: 3-(4-isopropylphenyl)-1H-pyrrole-2-sulfonic acid CAS Name: 3-(4-propan-2-ylphenyl)-1H-pyrrole-2-sulfonic acid IUPAC Name: 3-(4-propan-2-ylphenyl)-1H-pyrrole-2-sulfonic acid Traditional Name: 3-p-cumenyl-1H-pyrrole-2-sulfonic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(NC=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(NC=C2)S(=O)(=O)O

InChI

InChI=1S/C13H15NO3S/c1-9(2)10-3-5-11(6-4-10)12-7-8-14-13(12)18(15,16)17/h3-9,14H,1-2H3,(H,15,16,17)