9-[3-bromanyl-2-(2-bromanyl-6-xanthen-10-ium-9-yl-phenyl)phenyl]xanthen-10-ium ditetrafluoroborate

Systemtic Name: 9-[3-bromanyl-2-(2-bromanyl-6-xanthen-10-ium-9-yl-phenyl)phenyl]xanthen-10-ium ditetrafluoroborate Openeye Name: 9-[3-bromo-2-(2-bromo-6-xanthen-10-ium-9-yl-phenyl)phenyl]xanthen-10-ium ditetrafluoroborate CAS Name: 9-[3-bromo-2-[2-bromo-6-(9-xanthen-10-iumyl)phenyl]phenyl]xanthen-10-ium ditetrafluoroborate IUPAC Name: 9-[3-bromo-2-(2-bromo-6-xanthen-10-ium-9-ylphenyl)phenyl]xanthen-10-ium ditetrafluoroborate Traditional Name: 9-[3-bromo-2-(2-bromo-6-xanthen-10-ium-9-yl-phenyl)phenyl]xanthen-10-ium ditetrafluoroborate Formula: C38H22B2Br2F8O2 MolecularWeight: 843.997306

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C2C(=C1)C(=C3C=CC=CC3=[O+]2)C4=C(C(=CC=C4)Br)C5=C(C=CC=C5Br)C6=C7C=CC=CC7=[O+]C8=CC=CC=C86

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C2C(=C1)C(=C3C=CC=CC3=[O+]2)C4=C(C(=CC=C4)Br)C5=C(C=CC=C5Br)C6=C7C=CC=CC7=[O+]C8=CC=CC=C86

InChI

InChI=1S/C38H22Br2O2.2BF4/c39-29-17-9-15-27(35-23-11-1-5-19-31(23)41-32-20-6-2-12-24(32)35)37(29)38-28(16-10-18-30(38)40)36-25-13-3-7-21-33(25)42-34-22-8-4-14-26(34)36;2*2-1(3,4)5/h1-22H;;/q+2;2*-1