(6-bromanyl-2-phenyl-chromen-4-ylidene)-(4-carboxyphenyl)azanium tetrafluoroborate

Systemtic Name: (6-bromanyl-2-phenyl-chromen-4-ylidene)-(4-carboxyphenyl)azanium tetrafluoroborate Openeye Name: (6-bromo-2-phenyl-chromen-4-ylidene)-(4-carboxyphenyl)ammonium tetrafluoroborate CAS Name: (6-bromo-2-phenyl-1-benzopyran-4-ylidene)-(4-carboxyphenyl)ammonium tetrafluoroborate IUPAC Name: (6-bromo-2-phenylchromen-4-ylidene)-(4-carboxyphenyl)azanium tetrafluoroborate Traditional Name: (6-bromo-2-phenyl-chromen-4-ylidene)-(4-carboxyphenyl)ammonium tetrafluoroborate Formula: C22H15BBrF4NO3 MolecularWeight: 508.068013

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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)C(=O)O)C4=C(O2)C=CC(=C4)Br

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]C3=CC=C(C=C3)C(=O)O)C4=C(O2)C=CC(=C4)Br

InChI

InChI=1S/C22H14BrNO3.BF4/c23-16-8-11-20-18(12-16)19(13-21(27-20)14-4-2-1-3-5-14)24-17-9-6-15(7-10-17)22(25)26;2-1(3,4)5/h1-13H,(H,25,26);/q;-1/p+1