bis(3-chloranyl-4-methyl-phenyl) [(E)-3-phenyl-1-pyridin-2-yl-prop-2-enyl] borate

Systemtic Name: bis(3-chloranyl-4-methyl-phenyl) [(E)-3-phenyl-1-pyridin-2-yl-prop-2-enyl] borate Openeye Name: bis(3-chloro-4-methyl-phenyl) [(E)-3-phenyl-1-(2-pyridyl)allyl] borate CAS Name: bis(3-chloro-4-methylphenyl) [(E)-3-phenyl-1-(2-pyridinyl)prop-2-enyl] borate IUPAC Name: bis(3-chloro-4-methylphenyl) [(E)-3-phenyl-1-pyridin-2-ylprop-2-enyl] borate Traditional Name: bis(3-chloro-4-methyl-phenyl) [(E)-3-phenyl-1-(2-pyridyl)allyl] borate Formula: C28H24BCl2NO3 MolecularWeight: 504.21206

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Descriptors Computed from Structure

Canonical SMILES:

B(OC1=CC(=C(C=C1)C)Cl)(OC2=CC(=C(C=C2)C)Cl)OC(C=CC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

B(OC1=CC(=C(C=C1)C)Cl)(OC2=CC(=C(C=C2)C)Cl)OC(/C=C/C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C28H24BCl2NO3/c1-20-11-14-23(18-25(20)30)33-29(34-24-15-12-21(2)26(31)19-24)35-28(27-10-6-7-17-32-27)16-13-22-8-4-3-5-9-22/h3-19,28H,1-2H3/b16-13+