tributyl-[[4-(4-nitrophenoxy)carbonylphenyl]methyl]phosphanium bromide

Systemtic Name: tributyl-[[4-(4-nitrophenoxy)carbonylphenyl]methyl]phosphanium bromide Openeye Name: tributyl-[[4-(4-nitrophenoxy)carbonylphenyl]methyl]phosphonium bromide CAS Name: tributyl-[[4-[(4-nitrophenoxy)-oxomethyl]phenyl]methyl]phosphonium bromide IUPAC Name: tributyl-[[4-(4-nitrophenoxy)carbonylphenyl]methyl]phosphanium bromide Traditional Name: tributyl-[4-(4-nitrophenoxy)carbonylbenzyl]phosphonium bromide Formula: C26H37BrNO4P MolecularWeight: 538.454041

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C26H37NO4P.BrH/c1-4-7-18-32(19-8-5-2,20-9-6-3)21-22-10-12-23(13-11-22)26(28)31-25-16-14-24(15-17-25)27(29)30;/h10-17H,4-9,18-21H2,1-3H3;1H/q+1;/p-1