1-(6,8-dimethyl-2H-chromen-3-yl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 1-(6,8-dimethyl-2H-chromen-3-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(6,8-dimethyl-2H-chromen-3-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(6,8-dimethyl-2H-1-benzopyran-3-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(6,8-dimethyl-2H-chromen-3-yl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(6,8-dimethyl-2H-chromen-3-yl)ethyl-triphenyl-phosphonium bromide Formula: C31H30BrOP MolecularWeight: 529.447061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(CO2)C(C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C.[Br-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(CO2)C(C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C.[Br-]

InChI

InChI=1S/C31H30OP.BrH/c1-23-19-24(2)31-26(20-23)21-27(22-32-31)25(3)33(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30;/h4-21,25H,22H2,1-3H3;1H/q+1;/p-1