[4-(3-bromophenyl)carbonyloxyphenyl]-(6-methyl-2-phenyl-chromen-4-ylidene)azanium tetrafluoroborate

Systemtic Name: [4-(3-bromophenyl)carbonyloxyphenyl]-(6-methyl-2-phenyl-chromen-4-ylidene)azanium tetrafluoroborate Openeye Name: [4-(3-bromobenzoyl)oxyphenyl]-(6-methyl-2-phenyl-chromen-4-ylidene)ammonium tetrafluoroborate CAS Name: [4-[(3-bromophenyl)-oxomethoxy]phenyl]-(6-methyl-2-phenyl-1-benzopyran-4-ylidene)ammonium tetrafluoroborate IUPAC Name: [4-(3-bromobenzoyl)oxyphenyl]-(6-methyl-2-phenylchromen-4-ylidene)azanium tetrafluoroborate Traditional Name: [4-(3-bromobenzoyl)oxyphenyl]-(6-methyl-2-phenyl-chromen-4-ylidene)ammonium tetrafluoroborate Formula: C29H21BBrF4NO3 MolecularWeight: 598.190553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC2=C(C=C1)OC(=CC2=[NH+]C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC2=C(C=C1)OC(=CC2=[NH+]C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H20BrNO3.BF4/c1-19-10-15-27-25(16-19)26(18-28(34-27)20-6-3-2-4-7-20)31-23-11-13-24(14-12-23)33-29(32)21-8-5-9-22(30)17-21;2-1(3,4)5/h2-18H,1H3;/q;-1/p+1