3-[icosyl(dimethyl)azaniumyl]butane-1-sulfonate

Systemtic Name: 3-[icosyl(dimethyl)azaniumyl]butane-1-sulfonate Openeye Name: 3-[icosyl(dimethyl)ammonio]butane-1-sulfonate CAS Name: 3-[eicosyl(dimethyl)ammonio]-1-butanesulfonate IUPAC Name: 3-[icosyl(dimethyl)azaniumyl]butane-1-sulfonate Traditional Name: 3-[arachyl(dimethyl)ammonio]butane-1-sulfonate Formula: C26H55NO3S MolecularWeight: 461.7848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)CCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)CCS(=O)(=O)[O-]

InChI

InChI=1S/C26H55NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(3,4)26(2)23-25-31(28,29)30/h26H,5-25H2,1-4H3