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

Systemtic Name: phenyl 4-ethoxy-1-propyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-ethoxy-1-propyl-pyrrole-3-sulfonate CAS Name: 4-ethoxy-1-propyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-ethoxy-1-propylpyrrole-3-sulfonate Traditional Name: 4-ethoxy-1-propyl-pyrrole-3-sulfonic acid phenyl ester Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)OCC

Isomeric SMILES

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)OCC

InChI

InChI=1S/C15H19NO4S/c1-3-10-16-11-14(19-4-2)15(12-16)21(17,18)20-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3