3-[dimethyl(tetracosyl)azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[dimethyl(tetracosyl)azaniumyl]propane-1-sulfonate Openeye Name: 3-[dimethyl(tetracosyl)ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl(tetracosyl)ammonio]-1-propanesulfonate IUPAC Name: 3-[dimethyl(tetracosyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[lignoceryl(dimethyl)ammonio]propane-1-sulfonate Formula: C29H61NO3S MolecularWeight: 503.86454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C29H61NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(2,3)28-26-29-34(31,32)33/h4-29H2,1-3H3