[5-ethyl-2-(2-ethylhexadecanoyl)-2-oxidanyl-4-oxidanylidene-nonadecyl]azanium; methyl sulfate

Systemtic Name: [5-ethyl-2-(2-ethylhexadecanoyl)-2-oxidanyl-4-oxidanylidene-nonadecyl]azanium; methyl sulfate Openeye Name: [5-ethyl-2-(2-ethylhexadecanoyl)-2-hydroxy-4-oxo-nonadecyl]ammonium; methyl sulfate CAS Name: [5-ethyl-2-(2-ethyl-1-oxohexadecyl)-2-hydroxy-4-oxononadecyl]ammonium; methyl sulfate IUPAC Name: [5-ethyl-2-(2-ethylhexadecanoyl)-2-hydroxy-4-oxononadecyl]azanium; methyl sulfate Traditional Name: [5-ethyl-2-(2-ethylhexadecanoyl)-2-hydroxy-4-keto-nonadecyl]ammonium; methyl sulfate Formula: C40H81NO7S MolecularWeight: 720.13864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CC)C(=O)CC(C[NH3+])(C(=O)C(CC)CCCCCCCCCCCCCC)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CC)C(=O)CC(C[NH3+])(C(=O)C(CC)CCCCCCCCCCCCCC)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C39H77NO3.CH4O4S/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-35(7-3)37(41)33-39(43,34-40)38(42)36(8-4)32-30-28-26-24-22-20-18-16-14-12-10-6-2;1-5-6(2,3)4/h35-36,43H,5-34,40H2,1-4H3;1H3,(H,2,3,4)