phenyl 4-(2-hydroxyphenyl)-1-propyl-pyrrole-3-sulfonate

Systemtic Name: phenyl 4-(2-hydroxyphenyl)-1-propyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-(2-hydroxyphenyl)-1-propyl-pyrrole-3-sulfonate CAS Name: 4-(2-hydroxyphenyl)-1-propyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-hydroxyphenyl)-1-propylpyrrole-3-sulfonate Traditional Name: 4-(2-hydroxyphenyl)-1-propyl-pyrrole-3-sulfonic acid phenyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C19H19NO4S/c1-2-12-20-13-17(16-10-6-7-11-18(16)21)19(14-20)25(22,23)24-15-8-4-3-5-9-15/h3-11,13-14,21H,2,12H2,1H3