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

Systemtic Name: bis(2-nonylphenyl) phosphate; trimethyl-[2-(2-methylheptan-2-yl)phenyl]azanium Openeye Name: bis(2-nonylphenyl) phosphate; [2-(1,1-dimethylhexyl)phenyl]-trimethyl-ammonium CAS Name: bis(2-nonylphenyl) phosphate; trimethyl-[2-(2-methylheptan-2-yl)phenyl]ammonium IUPAC Name: bis(2-nonylphenyl) phosphate; trimethyl-[2-(2-methylheptan-2-yl)phenyl]azanium Traditional Name: bis(2-nonylphenyl) phosphate; [2-(1,1-dimethylhexyl)phenyl]-trimethyl-ammonium Formula: C47H76NO4P MolecularWeight: 750.084401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OP(=O)([O-])OC2=CC=CC=C2CCCCCCCCC.CCCCCC(C)(C)C1=CC=CC=C1[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OP(=O)([O-])OC2=CC=CC=C2CCCCCCCCC.CCCCCC(C)(C)C1=CC=CC=C1[N+](C)(C)C

InChI

InChI=1S/C30H47O4P.C17H30N/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)33-35(31,32)34-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2;1-7-8-11-14-17(2,3)15-12-9-10-13-16(15)18(4,5)6/h17-20,23-26H,3-16,21-22H2,1-2H3,(H,31,32);9-10,12-13H,7-8,11,14H2,1-6H3/q;+1/p-1