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(2-hexadecylphenyl)methyl-dimethyl-(3-sulfopropyl)azanium

(2-hexadecylphenyl)methyl-dimethyl-(3-sulfopropyl)azanium

Systemtic Name:(2-hexadecylphenyl)methyl-dimethyl-(3-sulfopropyl)azanium
Openeye Name:(2-hexadecylphenyl)methyl-dimethyl-(3-sulfopropyl)ammonium
CAS Name:(2-hexadecylphenyl)methyl-dimethyl-(3-sulfopropyl)ammonium
IUPAC Name:(2-hexadecylphenyl)methyl-dimethyl-(3-sulfopropyl)azanium
Traditional Name:(2-cetylbenzyl)-dimethyl-(3-sulfopropyl)ammonium
Formula: C28H52NO3S+
MolecularWeight: 482.78238
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CCCS(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)CCCS(=O)(=O)O


InChI

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


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