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azanium 2,4-di(undecyl)benzenesulfonate

azanium 2,4-di(undecyl)benzenesulfonate

Systemtic Name:azanium 2,4-di(undecyl)benzenesulfonate
Openeye Name:ammonium 2,4-di(undecyl)benzenesulfonate
CAS Name:ammonium 2,4-di(undecyl)benzenesulfonate
IUPAC Name:azanium 2,4-di(undecyl)benzenesulfonate
Traditional Name:ammonium 2,4-di(undecyl)besylate
Formula: C28H53NO3S
MolecularWeight: 483.79032
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCC.[NH4+]


Isomeric SMILES

CCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCC.[NH4+]


InChI

InChI=1S/C28H50O3S.H3N/c1-3-5-7-9-11-13-15-17-19-21-26-23-24-28(32(29,30)31)27(25-26)22-20-18-16-14-12-10-8-6-4-2;/h23-25H,3-22H2,1-2H3,(H,29,30,31);1H3


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