bis(2-ethylhexyl) phosphate; (2-bromophenyl)methyl-ethyl-dimethyl-azanium

Systemtic Name: bis(2-ethylhexyl) phosphate; (2-bromophenyl)methyl-ethyl-dimethyl-azanium Openeye Name: bis(2-ethylhexyl) phosphate; (2-bromophenyl)methyl-ethyl-dimethyl-ammonium CAS Name: bis(2-ethylhexyl) phosphate; (2-bromophenyl)methyl-ethyl-dimethylammonium IUPAC Name: bis(2-ethylhexyl) phosphate; (2-bromophenyl)methyl-ethyl-dimethylazanium Traditional Name: bis(2-ethylhexyl) phosphate; (2-bromobenzyl)-ethyl-dimethyl-ammonium Formula: C27H51BrNO4P MolecularWeight: 564.575901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.CC[N+](C)(C)CC1=CC=CC=C1Br

Isomeric SMILES

CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.CC[N+](C)(C)CC1=CC=CC=C1Br

InChI

InChI=1S/C16H35O4P.C11H17BrN/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;1-4-13(2,3)9-10-7-5-6-8-11(10)12/h15-16H,5-14H2,1-4H3,(H,17,18);5-8H,4,9H2,1-3H3/q;+1/p-1