(6-chloranyl-2-phenyl-chromen-4-ylidene)-(4-pyridin-3-ylcarbonyloxyphenyl)azanium tetrafluoroborate

Systemtic Name: (6-chloranyl-2-phenyl-chromen-4-ylidene)-(4-pyridin-3-ylcarbonyloxyphenyl)azanium tetrafluoroborate Openeye Name: (6-chloro-2-phenyl-chromen-4-ylidene)-[4-(pyridine-3-carbonyloxy)phenyl]ammonium tetrafluoroborate CAS Name: (6-chloro-2-phenyl-1-benzopyran-4-ylidene)-[4-[oxo(3-pyridinyl)methoxy]phenyl]ammonium tetrafluoroborate IUPAC Name: (6-chloro-2-phenylchromen-4-ylidene)-[4-(pyridine-3-carbonyloxy)phenyl]azanium tetrafluoroborate Traditional Name: (6-chloro-2-phenyl-chromen-4-ylidene)-(4-nicotinoyloxyphenyl)ammonium tetrafluoroborate Formula: C27H18BClF4N2O3 MolecularWeight: 540.701033

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]C3=CC=C(C=C3)OC(=O)C4=CN=CC=C4)C5=C(O2)C=CC(=C5)Cl

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]C3=CC=C(C=C3)OC(=O)C4=CN=CC=C4)C5=C(O2)C=CC(=C5)Cl

InChI

InChI=1S/C27H17ClN2O3.BF4/c28-20-8-13-25-23(15-20)24(16-26(33-25)18-5-2-1-3-6-18)30-21-9-11-22(12-10-21)32-27(31)19-7-4-14-29-17-19;2-1(3,4)5/h1-17H;/q;-1/p+1