3-[di(tridecan-2-yl)azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[di(tridecan-2-yl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[bis(1-methyldodecyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[di(tridecan-2-yl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[di(tridecan-2-yl)azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[bis(1-methyldodecyl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C29H61NO4S MolecularWeight: 519.86394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)[NH+](CC(CS(=O)(=O)[O-])O)C(C)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(C)[NH+](CC(CS(=O)(=O)[O-])O)C(C)CCCCCCCCCCC

InChI

InChI=1S/C29H61NO4S/c1-5-7-9-11-13-15-17-19-21-23-27(3)30(25-29(31)26-35(32,33)34)28(4)24-22-20-18-16-14-12-10-8-6-2/h27-29,31H,5-26H2,1-4H3,(H,32,33,34)