[(E)-4-cyclohexa-2,5-dien-1-ylidenebut-2-enyl]-triphenyl-phosphanium tetrafluoroborate

Systemtic Name: [(E)-4-cyclohexa-2,5-dien-1-ylidenebut-2-enyl]-triphenyl-phosphanium tetrafluoroborate Openeye Name: [(E)-4-cyclohexa-2,5-dien-1-ylidenebut-2-enyl]-triphenyl-phosphonium tetrafluoroborate CAS Name: [(E)-4-(1-cyclohexa-2,5-dienylidene)but-2-enyl]-triphenylphosphonium tetrafluoroborate IUPAC Name: [(E)-4-cyclohexa-2,5-dien-1-ylidenebut-2-enyl]-triphenylphosphanium tetrafluoroborate Traditional Name: [(E)-4-cyclohexa-2,5-dien-1-ylidenebut-2-enyl]-triphenyl-phosphonium tetrafluoroborate Formula: C28H26BF4P MolecularWeight: 480.284414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1C=CC(=CC=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=C1

Isomeric SMILES

[B-](F)(F)(F)F.C1C=CC(=C/C=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C28H26P.BF4/c1-5-15-25(16-6-1)17-13-14-24-29(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28;2-1(3,4)5/h2-23H,1,24H2;/q+1;-1/b14-13+;