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

Systemtic Name: 3-[dimethyl(triacontyl)azaniumyl]propane-1-sulfonate Openeye Name: 3-[dimethyl(triacontyl)ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl(triacontyl)ammonio]-1-propanesulfonate IUPAC Name: 3-[dimethyl(triacontyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[melissyl(dimethyl)ammonio]propane-1-sulfonate Formula: C35H73NO3S MolecularWeight: 588.02402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H73NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-36(2,3)34-32-35-40(37,38)39/h4-35H2,1-3H3