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

Systemtic Name: phenyl 1-(2-hydroxyphenyl)-4-oxidanyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-hydroxy-1-(2-hydroxyphenyl)pyrrole-3-sulfonate CAS Name: 4-hydroxy-1-(2-hydroxyphenyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-hydroxy-1-(2-hydroxyphenyl)pyrrole-3-sulfonate Traditional Name: 4-hydroxy-1-(2-hydroxyphenyl)pyrrole-3-sulfonic acid phenyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=CN(C=C2O)C3=CC=CC=C3O

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=CN(C=C2O)C3=CC=CC=C3O

InChI

InChI=1S/C16H13NO5S/c18-14-9-5-4-8-13(14)17-10-15(19)16(11-17)23(20,21)22-12-6-2-1-3-7-12/h1-11,18-19H