2,6-bis(4-sulfophenyl)pyrylium-4-carboxylic acid tetrafluoroborate

Systemtic Name: 2,6-bis(4-sulfophenyl)pyrylium-4-carboxylic acid tetrafluoroborate Openeye Name: 2,6-bis(4-sulfophenyl)pyrylium-4-carboxylic acid tetrafluoroborate CAS Name: 2,6-bis(4-sulfophenyl)-4-pyryliumcarboxylic acid tetrafluoroborate IUPAC Name: 2,6-bis(4-sulfophenyl)pyrylium-4-carboxylic acid tetrafluoroborate Traditional Name: 2,6-bis(4-sulfophenyl)pyrylium-4-carboxylic acid tetrafluoroborate Formula: C18H13BF4O9S2 MolecularWeight: 524.225033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC(=CC=C1C2=CC(=CC(=[O+]2)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC(=CC=C1C2=CC(=CC(=[O+]2)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H12O9S2.BF4/c19-18(20)13-9-16(11-1-5-14(6-2-11)28(21,22)23)27-17(10-13)12-3-7-15(8-4-12)29(24,25)26;2-1(3,4)5/h1-10H,(H2-,19,20,21,22,23,24,25,26);/q;-1/p+1