tributyl-[(3-propan-2-yloxycarbonylphenyl)methyl]phosphanium bromide

Systemtic Name: tributyl-[(3-propan-2-yloxycarbonylphenyl)methyl]phosphanium bromide Openeye Name: tributyl-[(3-isopropoxycarbonylphenyl)methyl]phosphonium bromide CAS Name: tributyl-[[3-[oxo(propan-2-yloxy)methyl]phenyl]methyl]phosphonium bromide IUPAC Name: tributyl-[(3-propan-2-yloxycarbonylphenyl)methyl]phosphanium bromide Traditional Name: tributyl-(3-isopropoxycarbonylbenzyl)phosphonium bromide Formula: C23H40BrO2P MolecularWeight: 459.440261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CC1=CC=CC(=C1)C(=O)OC(C)C.[Br-]

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CC1=CC=CC(=C1)C(=O)OC(C)C.[Br-]

InChI

InChI=1S/C23H40O2P.BrH/c1-6-9-15-26(16-10-7-2,17-11-8-3)19-21-13-12-14-22(18-21)23(24)25-20(4)5;/h12-14,18,20H,6-11,15-17,19H2,1-5H3;1H/q+1;/p-1