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

Systemtic Name: 3-[bis(2-hydroxyethyl)-icosyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[bis(2-hydroxyethyl)-icosyl-ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[eicosyl-bis(2-hydroxyethyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[bis(2-hydroxyethyl)-icosylazaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[arachyl-bis(2-hydroxyethyl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C27H57NO6S MolecularWeight: 523.80958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H57NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(21-23-29,22-24-30)25-27(31)26-35(32,33)34/h27,29-31H,2-26H2,1H3