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

Systemtic Name: phenyl 3-bromanyl-4-ethoxy-pyrrole-1-sulfonate Openeye Name: phenyl 3-bromo-4-ethoxy-pyrrole-1-sulfonate CAS Name: 3-bromo-4-ethoxy-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3-bromo-4-ethoxypyrrole-1-sulfonate Traditional Name: 3-bromo-4-ethoxy-pyrrole-1-sulfonic acid phenyl ester Formula: C12H12BrNO4S MolecularWeight: 346.19698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(C=C1Br)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCOC1=CN(C=C1Br)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H12BrNO4S/c1-2-17-12-9-14(8-11(12)13)19(15,16)18-10-6-4-3-5-7-10/h3-9H,2H2,1H3