(6-chloranyl-2-phenyl-chromen-4-ylidene)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azanium tetrafluoroborate

Systemtic Name: (6-chloranyl-2-phenyl-chromen-4-ylidene)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azanium tetrafluoroborate Openeye Name: (6-chloro-2-phenyl-chromen-4-ylidene)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)ammonium tetrafluoroborate CAS Name: (6-chloro-2-phenyl-1-benzopyran-4-ylidene)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)ammonium tetrafluoroborate IUPAC Name: (6-chloro-2-phenylchromen-4-ylidene)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azanium tetrafluoroborate Traditional Name: (6-chloro-2-phenyl-chromen-4-ylidene)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)ammonium tetrafluoroborate Formula: C26H21BClF4N3O2 MolecularWeight: 529.721453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH+]=C3C=C(OC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH+]=C3C=C(OC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H20ClN3O2.BF4/c1-17-25(26(31)30(29(17)2)20-11-7-4-8-12-20)28-22-16-24(18-9-5-3-6-10-18)32-23-14-13-19(27)15-21(22)23;2-1(3,4)5/h3-16H,1-2H3;/q;-1/p+1