hydrogen sulfate; 4-phenyl-2,6-dithiophen-2-yl-pyrylium

Systemtic Name: hydrogen sulfate; 4-phenyl-2,6-dithiophen-2-yl-pyrylium Openeye Name: hydrogen sulfate; 4-phenyl-2,6-bis(2-thienyl)pyrylium CAS Name: hydrogen sulfate; 4-phenyl-2,6-dithiophen-2-ylpyrylium IUPAC Name: hydrogen sulfate; 4-phenyl-2,6-dithiophen-2-ylpyrylium Traditional Name: 4-phenyl-2,6-bis(2-thienyl)pyrylium bisulfate Formula: C19H14O5S3 MolecularWeight: 418.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=CS3)C4=CC=CS4.OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=CS3)C4=CC=CS4.OS(=O)(=O)[O-]

InChI

InChI=1S/C19H13OS2.H2O4S/c1-2-6-14(7-3-1)15-12-16(18-8-4-10-21-18)20-17(13-15)19-9-5-11-22-19;1-5(2,3)4/h1-13H;(H2,1,2,3,4)/q+1;/p-1