methyl sulfate; tris[4-(2-dodecoxyethyl)-5-oxidanyl-hexyl]-methyl-azanium

Systemtic Name: methyl sulfate; tris[4-(2-dodecoxyethyl)-5-oxidanyl-hexyl]-methyl-azanium Openeye Name: methyl sulfate; tris[4-(2-dodecoxyethyl)-5-hydroxy-hexyl]-methyl-ammonium CAS Name: methyl sulfate; tris[4-(2-dodecoxyethyl)-5-hydroxyhexyl]-methylammonium IUPAC Name: methyl sulfate; tris[4-(2-dodecoxyethyl)-5-hydroxyhexyl]-methylazanium Traditional Name: methyl sulfate; tris[5-hydroxy-4-(2-lauryloxyethyl)hexyl]-methyl-ammonium Formula: C62H129NO10S MolecularWeight: 1080.75336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCC(CCC[N+](C)(CCCC(CCOCCCCCCCCCCCC)C(C)O)CCCC(CCOCCCCCCCCCCCC)C(C)O)C(C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOCCC(CCC[N+](C)(CCCC(CCOCCCCCCCCCCCC)C(C)O)CCCC(CCOCCCCCCCCCCCC)C(C)O)C(C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C61H126NO6.CH4O4S/c1-8-11-14-17-20-23-26-29-32-35-50-66-53-44-59(56(4)63)41-38-47-62(7,48-39-42-60(57(5)64)45-54-67-51-36-33-30-27-24-21-18-15-12-9-2)49-40-43-61(58(6)65)46-55-68-52-37-34-31-28-25-22-19-16-13-10-3;1-5-6(2,3)4/h56-61,63-65H,8-55H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1