3-ethyl-5-methanoyl-4-methyl-1H-pyrrole-2-sulfonic acid

Systemtic Name: 3-ethyl-5-methanoyl-4-methyl-1H-pyrrole-2-sulfonic acid Openeye Name: 3-ethyl-5-formyl-4-methyl-1H-pyrrole-2-sulfonic acid CAS Name: 3-ethyl-5-formyl-4-methyl-1H-pyrrole-2-sulfonic acid IUPAC Name: 3-ethyl-5-formyl-4-methyl-1H-pyrrole-2-sulfonic acid Traditional Name: 3-ethyl-5-formyl-4-methyl-1H-pyrrole-2-sulfonic acid Formula: C8H11NO4S MolecularWeight: 217.24224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C=O)S(=O)(=O)O

Isomeric SMILES

CCC1=C(NC(=C1C)C=O)S(=O)(=O)O

InChI

InChI=1S/C8H11NO4S/c1-3-6-5(2)7(4-10)9-8(6)14(11,12)13/h4,9H,3H2,1-2H3,(H,11,12,13)