3-[dimethyl(pentacosyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[dimethyl(pentacosyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[dimethyl(pentacosyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[dimethyl(pentacosyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[dimethyl(pentacosyl)azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[dimethyl(pentacosyl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C30H63NO4S MolecularWeight: 533.89052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C30H63NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31(2,3)28-30(32)29-36(33,34)35/h30,32H,4-29H2,1-3H3