[4-(3-bromophenyl)carbonyloxyphenyl]-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate

Systemtic Name: [4-(3-bromophenyl)carbonyloxyphenyl]-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate Openeye Name: [4-(3-bromobenzoyl)oxyphenyl]-(2-phenylchromen-4-ylidene)ammonium tetrafluoroborate CAS Name: [4-[(3-bromophenyl)-oxomethoxy]phenyl]-(2-phenyl-1-benzopyran-4-ylidene)ammonium tetrafluoroborate IUPAC Name: [4-(3-bromobenzoyl)oxyphenyl]-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate Traditional Name: [4-(3-bromobenzoyl)oxyphenyl]-(2-phenylchromen-4-ylidene)ammonium tetrafluoroborate Formula: C28H19BBrF4NO3 MolecularWeight: 584.163973

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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)OC(=O)C4=CC(=CC=C4)Br)C5=CC=CC=C5O2

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)C5=CC=CC=C5O2

InChI

InChI=1S/C28H18BrNO3.BF4/c29-21-10-6-9-20(17-21)28(31)32-23-15-13-22(14-16-23)30-25-18-27(19-7-2-1-3-8-19)33-26-12-5-4-11-24(25)26;2-1(3,4)5/h1-18H;/q;-1/p+1