methylsulfonyl 3-methoxy-4-octadecoxy-butane-1-sulfonate; trimethyl(propyl)azanium

Systemtic Name: methylsulfonyl 3-methoxy-4-octadecoxy-butane-1-sulfonate; trimethyl(propyl)azanium Openeye Name: methylsulfonyl 3-methoxy-4-octadecoxy-butane-1-sulfonate; trimethyl(propyl)ammonium CAS Name: 3-methoxy-4-octadecoxy-1-butanesulfonic acid; trimethyl(propyl)ammonium IUPAC Name: methylsulfonyl 3-methoxy-4-octadecoxybutane-1-sulfonate; trimethyl(propyl)azanium Traditional Name: 3-methoxy-4-stearyloxy-butane-1-sulfonic acid mesyl ester; trimethyl(propyl)ammonium Formula: C30H66NO7S2+ MolecularWeight: 616.97754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)(=O)OS(=O)(=O)C)OC.CCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)(=O)OS(=O)(=O)C)OC.CCC[N+](C)(C)C

InChI

InChI=1S/C24H50O7S2.C6H16N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-23-24(29-2)20-22-33(27,28)31-32(3,25)26;1-5-6-7(2,3)4/h24H,4-23H2,1-3H3;5-6H2,1-4H3/q;+1