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

Systemtic Name: phenyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-3-sulfonate Openeye Name: phenyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-3-sulfonate CAS Name: 1-ethyl-4-(2-hydroxyphenyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-3-sulfonate Traditional Name: 1-ethyl-4-(2-hydroxyphenyl)pyrrole-3-sulfonic acid phenyl ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

CCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C18H17NO4S/c1-2-19-12-16(15-10-6-7-11-17(15)20)18(13-19)24(21,22)23-14-8-4-3-5-9-14/h3-13,20H,2H2,1H3