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azanium 2,4-di(tridecyl)benzenesulfonate

azanium 2,4-di(tridecyl)benzenesulfonate

Systemtic Name:azanium 2,4-di(tridecyl)benzenesulfonate
Openeye Name:ammonium 2,4-di(tridecyl)benzenesulfonate
CAS Name:ammonium 2,4-di(tridecyl)benzenesulfonate
IUPAC Name:azanium 2,4-di(tridecyl)benzenesulfonate
Traditional Name:ammonium 2,4-di(tridecyl)besylate
Formula: C32H61NO3S
MolecularWeight: 539.89664
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCCCC.[NH4+]


Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCCCC.[NH4+]


InChI

InChI=1S/C32H58O3S.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-27-28-32(36(33,34)35)31(29-30)26-24-22-20-18-16-14-12-10-8-6-4-2;/h27-29H,3-26H2,1-2H3,(H,33,34,35);1H3


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