(E)-(6-ethyl-2-phenyl-chromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium tetrafluoroborate

Systemtic Name: (E)-(6-ethyl-2-phenyl-chromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium tetrafluoroborate Openeye Name: (E)-(6-ethyl-2-phenyl-chromen-4-ylidene)-(4-methoxycarbonylphenyl)ammonium tetrafluoroborate CAS Name: (E)-(6-ethyl-2-phenyl-1-benzopyran-4-ylidene)-(4-methoxycarbonylphenyl)ammonium tetrafluoroborate IUPAC Name: (E)-(6-ethyl-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium tetrafluoroborate Traditional Name: (E)-(4-carbomethoxyphenyl)-(6-ethyl-2-phenyl-chromen-4-ylidene)ammonium tetrafluoroborate Formula: C25H22BF4NO3 MolecularWeight: 471.251693

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCC1=CC2=C(C=C1)OC(=CC2=[NH+]C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCC1=CC\2=C(C=C1)OC(=C/C2=[NH+]\C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H21NO3.BF4/c1-3-17-9-14-23-21(15-17)22(16-24(29-23)18-7-5-4-6-8-18)26-20-12-10-19(11-13-20)25(27)28-2;2-1(3,4)5/h4-16H,3H2,1-2H3;/q;-1/p+1/b26-22+;