decyl-dimethyl-(7-methyloctyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: decyl-dimethyl-(7-methyloctyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: decyl-dimethyl-(7-methyloctyl)ammonium citrate CAS Name: decyl-dimethyl-(7-methyloctyl)ammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: decyl-dimethyl-(7-methyloctyl)azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: decyl-dimethyl-(7-methyloctyl)ammonium citrate Formula: C69H143N3O7 MolecularWeight: 1126.88962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(C)CCCCCCC(C)C.CCCCCCCCCC[N+](C)(C)CCCCCCC(C)C.CCCCCCCCCC[N+](C)(C)CCCCCCC(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCC[N+](C)(C)CCCCCCC(C)C.CCCCCCCCCC[N+](C)(C)CCCCCCC(C)C.CCCCCCCCCC[N+](C)(C)CCCCCCC(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/3C21H46N.C6H8O7/c3*1-6-7-8-9-10-11-13-16-19-22(4,5)20-17-14-12-15-18-21(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*21H,6-20H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q3*+1;/p-3