phenyl 4-ethoxy-1-ethyl-pyrrole-3-sulfonate

Systemtic Name: phenyl 4-ethoxy-1-ethyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-ethoxy-1-ethyl-pyrrole-3-sulfonate CAS Name: 4-ethoxy-1-ethyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-ethoxy-1-ethylpyrrole-3-sulfonate Traditional Name: 4-ethoxy-1-ethyl-pyrrole-3-sulfonic acid phenyl ester Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)OCC

Isomeric SMILES

CCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)OCC

InChI

InChI=1S/C14H17NO4S/c1-3-15-10-13(18-4-2)14(11-15)20(16,17)19-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3