diphenyl phosphate; trimethyl-[2-(2-methylheptan-2-yl)phenyl]azanium

Systemtic Name: diphenyl phosphate; trimethyl-[2-(2-methylheptan-2-yl)phenyl]azanium Openeye Name: [2-(1,1-dimethylhexyl)phenyl]-trimethyl-ammonium; diphenyl phosphate CAS Name: diphenyl phosphate; trimethyl-[2-(2-methylheptan-2-yl)phenyl]ammonium IUPAC Name: diphenyl phosphate; trimethyl-[2-(2-methylheptan-2-yl)phenyl]azanium Traditional Name: [2-(1,1-dimethylhexyl)phenyl]-trimethyl-ammonium; diphenyl phosphate Formula: C29H40NO4P MolecularWeight: 497.605961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC=CC=C1[N+](C)(C)C.C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)(C)C1=CC=CC=C1[N+](C)(C)C.C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2

InChI

InChI=1S/C17H30N.C12H11O4P/c1-7-8-11-14-17(2,3)15-12-9-10-13-16(15)18(4,5)6;13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h9-10,12-13H,7-8,11,14H2,1-6H3;1-10H,(H,13,14)/q+1;/p-1