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

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

Systemtic Name:3-[di(nonadecan-2-yl)azaniumyl]propane-1-sulfonate
Openeye Name:3-[bis(1-methyloctadecyl)ammonio]propane-1-sulfonate
CAS Name:3-[di(nonadecan-2-yl)ammonio]-1-propanesulfonate
IUPAC Name:3-[di(nonadecan-2-yl)azaniumyl]propane-1-sulfonate
Traditional Name:3-[bis(1-methyloctadecyl)ammonio]propane-1-sulfonate
Formula: C41H85NO3S
MolecularWeight: 672.1835
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)[NH+](CCCS(=O)(=O)[O-])C(C)CCCCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)[NH+](CCCS(=O)(=O)[O-])C(C)CCCCCCCCCCCCCCCCC


InChI

InChI=1S/C41H85NO3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40(3)42(38-35-39-46(43,44)45)41(4)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h40-41H,5-39H2,1-4H3,(H,43,44,45)


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