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

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-4-(phenylsulfonyl)pyrrole-1-sulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-4-(2-hydroxyphenyl)pyrrole-1-sulfonate CAS Name: 3-(benzenesulfonyl)-4-(2-hydroxyphenyl)-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-4-(2-hydroxyphenyl)pyrrole-1-sulfonate Traditional Name: 3-besyl-4-(2-hydroxyphenyl)pyrrole-1-sulfonic acid phenyl ester Formula: C22H17NO6S2 MolecularWeight: 455.50348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)N2C=C(C(=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)N2C=C(C(=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C22H17NO6S2/c24-21-14-8-7-13-19(21)20-15-23(31(27,28)29-17-9-3-1-4-10-17)16-22(20)30(25,26)18-11-5-2-6-12-18/h1-16,24H