1-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 1-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(4,4-dimethylchroman-6-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(4,4-dimethylchroman-6-yl)ethyl-triphenyl-phosphonium bromide Formula: C31H32BrOP MolecularWeight: 531.462941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCC2(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCC2(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C31H32OP.BrH/c1-24(25-19-20-30-29(23-25)31(2,3)21-22-32-30)33(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28;/h4-20,23-24H,21-22H2,1-3H3;1H/q+1;/p-1