1-(3-nitrophenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)but-3-en-1-ol tetrafluoroborate

Systemtic Name: 1-(3-nitrophenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)but-3-en-1-ol tetrafluoroborate Openeye Name: 1-(3-nitrophenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)but-3-en-1-ol tetrafluoroborate CAS Name: 1-(3-nitrophenyl)-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)-3-buten-1-ol tetrafluoroborate IUPAC Name: 1-(3-nitrophenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)but-3-en-1-ol tetrafluoroborate Traditional Name: 1-(3-nitrophenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)but-3-en-1-ol tetrafluoroborate Formula: C33H27BF4N2O3 MolecularWeight: 586.383693

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C=CC(C(C1=CC(=CC=C1)[N+](=O)[O-])O)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.C=CC(C(C1=CC(=CC=C1)[N+](=O)[O-])O)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H27N2O3.BF4/c1-2-30(33(36)27-19-12-20-29(21-27)35(37)38)34-31(25-15-8-4-9-16-25)22-28(24-13-6-3-7-14-24)23-32(34)26-17-10-5-11-18-26;2-1(3,4)5/h2-23,30,33,36H,1H2;/q+1;-1