1-(7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 1-(7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(7,7-dimethyl-5,6,8,9-tetrahydrobenzocyclohepten-3-yl)ethyl-triphenyl-phosphonium bromide Formula: C33H36BrP MolecularWeight: 543.516701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H36P.BrH/c1-26(28-20-19-27-21-23-33(2,3)24-22-29(27)25-28)34(30-13-7-4-8-14-30,31-15-9-5-10-16-31)32-17-11-6-12-18-32;/h4-20,25-26H,21-24H2,1-3H3;1H/q+1;/p-1