2,6-bis(4-methoxy-3-sulfo-phenyl)pyrylium-4-carboxylic acid tetrafluoroborate

Systemtic Name: 2,6-bis(4-methoxy-3-sulfo-phenyl)pyrylium-4-carboxylic acid tetrafluoroborate Openeye Name: 2,6-bis(4-methoxy-3-sulfo-phenyl)pyrylium-4-carboxylic acid tetrafluoroborate CAS Name: 2,6-bis(4-methoxy-3-sulfophenyl)-4-pyryliumcarboxylic acid tetrafluoroborate IUPAC Name: 2,6-bis(4-methoxy-3-sulfophenyl)pyrylium-4-carboxylic acid tetrafluoroborate Traditional Name: 2,6-bis(4-methoxy-3-sulfo-phenyl)pyrylium-4-carboxylic acid tetrafluoroborate Formula: C20H17BF4O11S2 MolecularWeight: 584.276993

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.COC1=C(C=C(C=C1)C2=CC(=CC(=[O+]2)C3=CC(=C(C=C3)OC)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

[B-](F)(F)(F)F.COC1=C(C=C(C=C1)C2=CC(=CC(=[O+]2)C3=CC(=C(C=C3)OC)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H16O11S2.BF4/c1-29-14-5-3-11(9-18(14)32(23,24)25)16-7-13(20(21)22)8-17(31-16)12-4-6-15(30-2)19(10-12)33(26,27)28;2-1(3,4)5/h3-10H,1-2H3,(H2-,21,22,23,24,25,26,27,28);/q;-1/p+1