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

Systemtic Name: phenyl 4-(2-hydroxyphenyl)-1-(2-methylpropyl)pyrrole-3-sulfonate Openeye Name: phenyl 4-(2-hydroxyphenyl)-1-isobutyl-pyrrole-3-sulfonate CAS Name: 4-(2-hydroxyphenyl)-1-(2-methylpropyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-hydroxyphenyl)-1-(2-methylpropyl)pyrrole-3-sulfonate Traditional Name: 4-(2-hydroxyphenyl)-1-isobutyl-pyrrole-3-sulfonic acid phenyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C20H21NO4S/c1-15(2)12-21-13-18(17-10-6-7-11-19(17)22)20(14-21)26(23,24)25-16-8-4-3-5-9-16/h3-11,13-15,22H,12H2,1-2H3