4-[1-butyl-4-phenyl-6-[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]pyridin-1-ium-2-yl]benzenesulfonic acid

Systemtic Name: 4-[1-butyl-4-phenyl-6-[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]pyridin-1-ium-2-yl]benzenesulfonic acid Openeye Name: 4-[1-butyl-4-phenyl-6-[4-(2-phenyloxazol-5-yl)phenyl]pyridin-1-ium-2-yl]benzenesulfonic acid CAS Name: 4-[1-butyl-4-phenyl-6-[4-(2-phenyl-5-oxazolyl)phenyl]-2-pyridin-1-iumyl]benzenesulfonic acid IUPAC Name: 4-[1-butyl-4-phenyl-6-[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]pyridin-1-ium-2-yl]benzenesulfonic acid Traditional Name: 4-[1-butyl-4-phenyl-6-[4-(2-phenyloxazol-5-yl)phenyl]pyridin-1-ium-2-yl]besylic acid Formula: C36H31N2O4S+ MolecularWeight: 587.70734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CN=C(O5)C6=CC=CC=C6

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CN=C(O5)C6=CC=CC=C6

InChI

InChI=1S/C36H30N2O4S/c1-2-3-22-38-33(27-14-16-29(17-15-27)35-25-37-36(42-35)30-12-8-5-9-13-30)23-31(26-10-6-4-7-11-26)24-34(38)28-18-20-32(21-19-28)43(39,40)41/h4-21,23-25H,2-3,22H2,1H3/p+1