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(2-hexadecylphenyl)-dimethyl-(4-sulfobutyl)azanium

(2-hexadecylphenyl)-dimethyl-(4-sulfobutyl)azanium

Systemtic Name:(2-hexadecylphenyl)-dimethyl-(4-sulfobutyl)azanium
Openeye Name:(2-hexadecylphenyl)-dimethyl-(4-sulfobutyl)ammonium
CAS Name:(2-hexadecylphenyl)-dimethyl-(4-sulfobutyl)ammonium
IUPAC Name:(2-hexadecylphenyl)-dimethyl-(4-sulfobutyl)azanium
Traditional Name:(2-cetylphenyl)-dimethyl-(4-sulfobutyl)ammonium
Formula: C28H52NO3S+
MolecularWeight: 482.78238
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)CCCCS(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)CCCCS(=O)(=O)O


InChI

InChI=1S/C28H51NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-23-18-19-24-28(27)29(2,3)25-20-21-26-33(30,31)32/h18-19,23-24H,4-17,20-22,25-26H2,1-3H3/p+1


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