4-methylbenzenesulfonic acid; 1H-pyrrole

Systemtic Name: 4-methylbenzenesulfonic acid; 1H-pyrrole Openeye Name: 4-methylbenzenesulfonic acid; pyrrole CAS Name: 4-methylbenzenesulfonic acid; 1H-pyrrole IUPAC Name: 4-methylbenzenesulfonic acid; 1H-pyrrole Traditional Name: pyrrole; tosylic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CNC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CNC=C1

InChI

InChI=1S/C7H8O3S.C4H5N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-5-3-1/h2-5H,1H3,(H,8,9,10);1-5H