3-[[(E)-dodec-4-enyl]-dimethyl-azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[[(E)-dodec-4-enyl]-dimethyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[[(E)-dodec-4-enyl]-dimethyl-ammonio]propane-1-sulfonate CAS Name: 3-[[(E)-dodec-4-enyl]-dimethylammonio]-1-propanesulfonate IUPAC Name: 3-[[(E)-dodec-4-enyl]-dimethylazaniumyl]propane-1-sulfonate Traditional Name: 3-[[(E)-dodec-4-enyl]-dimethyl-ammonio]propane-1-sulfonate Formula: C17H35NO3S MolecularWeight: 333.5297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCC[N+](C)(C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC/C=C/CCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C17H35NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h10-11H,4-9,12-17H2,1-3H3/b11-10+