4-(2,6-diphenylpyrylium-4-yl)-1-hexadecyl-pyridin-1-ium ditetrafluoroborate

Systemtic Name: 4-(2,6-diphenylpyrylium-4-yl)-1-hexadecyl-pyridin-1-ium ditetrafluoroborate Openeye Name: 4-(2,6-diphenylpyrylium-4-yl)-1-hexadecyl-pyridin-1-ium ditetrafluoroborate CAS Name: 4-(2,6-diphenyl-4-pyryliumyl)-1-hexadecylpyridin-1-ium ditetrafluoroborate IUPAC Name: 4-(2,6-diphenylpyrylium-4-yl)-1-hexadecylpyridin-1-ium ditetrafluoroborate Traditional Name: 1-cetyl-4-(2,6-diphenylpyrylium-4-yl)pyridin-1-ium ditetrafluoroborate Formula: C38H49B2F8NO MolecularWeight: 709.410986

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C38H49NO.2BF4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28-39-29-26-33(27-30-39)36-31-37(34-22-17-15-18-23-34)40-38(32-36)35-24-19-16-20-25-35;2*2-1(3,4)5/h15-20,22-27,29-32H,2-14,21,28H2,1H3;;/q+2;2*-1