disodium; dodecyl-dimethyl-(2-oxidanyldodecan-3-yl)azanium; propyl phosphate

Systemtic Name: disodium; dodecyl-dimethyl-(2-oxidanyldodecan-3-yl)azanium; propyl phosphate Openeye Name: disodium; dodecyl-[1-(1-hydroxyethyl)decyl]-dimethyl-ammonium; propyl phosphate CAS Name: disodium; dodecyl-(2-hydroxydodecan-3-yl)-dimethylammonium; propyl phosphate IUPAC Name: disodium; dodecyl-(2-hydroxydodecan-3-yl)-dimethylazanium; propyl phosphate Traditional Name: disodium; 1-(1-hydroxyethyl)decyl-lauryl-dimethyl-ammonium; propyl phosphate Formula: C55H119N2Na2O6P+2 MolecularWeight: 981.496461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C(CCCCCCCCC)C(C)O.CCCCCCCCCCCC[N+](C)(C)C(CCCCCCCCC)C(C)O.CCCOP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C(CCCCCCCCC)C(C)O.CCCCCCCCCCCC[N+](C)(C)C(CCCCCCCCC)C(C)O.CCCOP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/2C26H56NO.C3H9O4P.2Na/c2*1-6-8-10-12-14-15-16-18-20-22-24-27(4,5)26(25(3)28)23-21-19-17-13-11-9-7-2;1-2-3-7-8(4,5)6;;/h2*25-26,28H,6-24H2,1-5H3;2-3H2,1H3,(H2,4,5,6);;/q2*+1;;2*+1/p-2