(2-dodecanoyloxy-4-dodecoxy-4-oxidanylidene-butyl)-trimethyl-azanium iodide

Systemtic Name: (2-dodecanoyloxy-4-dodecoxy-4-oxidanylidene-butyl)-trimethyl-azanium iodide Openeye Name: (2-dodecanoyloxy-4-dodecoxy-4-oxo-butyl)-trimethyl-ammonium iodide CAS Name: [4-dodecoxy-4-oxo-2-(1-oxododecoxy)butyl]-trimethylammonium iodide IUPAC Name: (2-dodecanoyloxy-4-dodecoxy-4-oxobutyl)-trimethylazanium iodide Traditional Name: (4-keto-2-lauroyloxy-4-lauryloxy-butyl)-trimethyl-ammonium iodide Formula: C31H62INO4 MolecularWeight: 639.73275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCC.[I-]

InChI

InChI=1S/C31H62NO4.HI/c1-6-8-10-12-14-16-18-20-22-24-26-35-31(34)27-29(28-32(3,4)5)36-30(33)25-23-21-19-17-15-13-11-9-7-2;/h29H,6-28H2,1-5H3;1H/q+1;/p-1