4-[bis(2-hydroxyethyl)azaniumyl]heptadecane-1-sulfonate

Systemtic Name: 4-[bis(2-hydroxyethyl)azaniumyl]heptadecane-1-sulfonate Openeye Name: 4-[bis(2-hydroxyethyl)ammonio]heptadecane-1-sulfonate CAS Name: 4-[bis(2-hydroxyethyl)ammonio]-1-heptadecanesulfonate IUPAC Name: 4-[bis(2-hydroxyethyl)azaniumyl]heptadecane-1-sulfonate Traditional Name: 4-[bis(2-hydroxyethyl)ammonio]heptadecane-1-sulfonate Formula: C21H45NO5S MolecularWeight: 423.6507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCS(=O)(=O)[O-])[NH+](CCO)CCO

Isomeric SMILES

CCCCCCCCCCCCCC(CCCS(=O)(=O)[O-])[NH+](CCO)CCO

InChI

InChI=1S/C21H45NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(15-13-20-28(25,26)27)22(16-18-23)17-19-24/h21,23-24H,2-20H2,1H3,(H,25,26,27)