4-[4-phenyl-6-[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]pyrylium-2-yl]benzenesulfonate perchlorate

Systemtic Name: 4-[4-phenyl-6-[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]pyrylium-2-yl]benzenesulfonate perchlorate Openeye Name: 4-[4-phenyl-6-[4-(2-phenyloxazol-5-yl)phenyl]pyrylium-2-yl]benzenesulfonate perchlorate CAS Name: 4-[4-phenyl-6-[4-(2-phenyl-5-oxazolyl)phenyl]-2-pyryliumyl]benzenesulfonate perchlorate IUPAC Name: 4-[4-phenyl-6-[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]pyrylium-2-yl]benzenesulfonate perchlorate Traditional Name: 4-[4-phenyl-6-[4-(2-phenyloxazol-5-yl)phenyl]pyrylium-2-yl]besylate perchlorate Formula: C32H21ClNO9S- MolecularWeight: 631.02844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)C5=CN=C(O5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)C5=CN=C(O5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C32H21NO5S.ClHO4/c34-39(35,36)28-17-15-24(16-18-28)30-20-27(22-7-3-1-4-8-22)19-29(37-30)23-11-13-25(14-12-23)31-21-33-32(38-31)26-9-5-2-6-10-26;2-1(3,4)5/h1-21H;(H,2,3,4,5)/p-1