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

Systemtic Name: phenyl 1-ethyl-4-oxidanyl-pyrrole-3-sulfonate Openeye Name: phenyl 1-ethyl-4-hydroxy-pyrrole-3-sulfonate CAS Name: 1-ethyl-4-hydroxy-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-ethyl-4-hydroxypyrrole-3-sulfonate Traditional Name: 1-ethyl-4-hydroxy-pyrrole-3-sulfonic acid phenyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-2-13-8-11(14)12(9-13)18(15,16)17-10-6-4-3-5-7-10/h3-9,14H,2H2,1H3