4-[12-[dimethyl(4-sulfonatobutyl)azaniumyl]dodecyl-dimethyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[12-[dimethyl(4-sulfonatobutyl)azaniumyl]dodecyl-dimethyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[12-[dimethyl(4-sulfonatobutyl)ammonio]dodecyl-dimethyl-ammonio]butane-1-sulfonate CAS Name: 4-[12-[dimethyl(4-sulfonatobutyl)ammonio]dodecyl-dimethylammonio]-1-butanesulfonate IUPAC Name: 4-[12-[dimethyl(4-sulfonatobutyl)azaniumyl]dodecyl-dimethylazaniumyl]butane-1-sulfonate Traditional Name: 4-[12-[dimethyl(4-sulfonatobutyl)ammonio]dodecyl-dimethyl-ammonio]butane-1-sulfonate Formula: C24H52N2O6S2 MolecularWeight: 528.80948

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCCCCC[N+](C)(C)CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(CCCCCCCCCCCC[N+](C)(C)CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C24H52N2O6S2/c1-25(2,21-15-17-23-33(27,28)29)19-13-11-9-7-5-6-8-10-12-14-20-26(3,4)22-16-18-24-34(30,31)32/h5-24H2,1-4H3