(6-methyl-2-phenyl-chromen-4-ylidene)-(6-oxidanyl-6-oxidanylidene-hexyl)azanium tetrafluoroborate

Systemtic Name: (6-methyl-2-phenyl-chromen-4-ylidene)-(6-oxidanyl-6-oxidanylidene-hexyl)azanium tetrafluoroborate Openeye Name: (6-hydroxy-6-oxo-hexyl)-(6-methyl-2-phenyl-chromen-4-ylidene)ammonium tetrafluoroborate CAS Name: (6-hydroxy-6-oxohexyl)-(6-methyl-2-phenyl-1-benzopyran-4-ylidene)ammonium tetrafluoroborate IUPAC Name: (6-hydroxy-6-oxohexyl)-(6-methyl-2-phenylchromen-4-ylidene)azanium tetrafluoroborate Traditional Name: (6-hydroxy-6-keto-hexyl)-(6-methyl-2-phenyl-chromen-4-ylidene)ammonium tetrafluoroborate Formula: C22H24BF4NO3 MolecularWeight: 437.235473

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC2=C(C=C1)OC(=CC2=[NH+]CCCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC2=C(C=C1)OC(=CC2=[NH+]CCCCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO3.BF4/c1-16-11-12-20-18(14-16)19(23-13-7-3-6-10-22(24)25)15-21(26-20)17-8-4-2-5-9-17;2-1(3,4)5/h2,4-5,8-9,11-12,14-15H,3,6-7,10,13H2,1H3,(H,24,25);/q;-1/p+1