4-(4-pyrimidin-5-ylphenoxy)benzenesulfonic acid

Systemtic Name: 4-(4-pyrimidin-5-ylphenoxy)benzenesulfonic acid Openeye Name: 4-(4-pyrimidin-5-ylphenoxy)benzenesulfonic acid CAS Name: 4-[4-(5-pyrimidinyl)phenoxy]benzenesulfonic acid IUPAC Name: 4-(4-pyrimidin-5-ylphenoxy)benzenesulfonic acid Traditional Name: 4-[4-(5-pyrimidyl)phenoxy]besylic acid Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=CN=C2)OC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CN=CN=C2)OC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H12N2O4S/c19-23(20,21)16-7-5-15(6-8-16)22-14-3-1-12(2-4-14)13-9-17-11-18-10-13/h1-11H,(H,19,20,21)