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

Systemtic Name: phenyl 4-fluoranyl-1-propyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-fluoro-1-propyl-pyrrole-3-sulfonate CAS Name: 4-fluoro-1-propyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-fluoro-1-propylpyrrole-3-sulfonate Traditional Name: 4-fluoro-1-propyl-pyrrole-3-sulfonic acid phenyl ester Formula: C13H14FNO3S MolecularWeight: 283.318563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FNO3S/c1-2-8-15-9-12(14)13(10-15)19(16,17)18-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3