3-[docosyl-bis(2-hydroxyethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[docosyl-bis(2-hydroxyethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[docosyl-bis(2-hydroxyethyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[docosyl-bis(2-hydroxyethyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[docosyl-bis(2-hydroxyethyl)azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[behenyl-bis(2-hydroxyethyl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C29H61NO6S MolecularWeight: 551.86274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C29H61NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(23-25-31,24-26-32)27-29(33)28-37(34,35)36/h29,31-33H,2-28H2,1H3