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1-(2,3-didodecylphenyl)tridecylazanium

1-(2,3-didodecylphenyl)tridecylazanium

Systemtic Name:1-(2,3-didodecylphenyl)tridecylazanium
Openeye Name:1-(2,3-didodecylphenyl)tridecylammonium
CAS Name:1-(2,3-didodecylphenyl)tridecylammonium
IUPAC Name:1-(2,3-didodecylphenyl)tridecylazanium
Traditional Name:1-(2,3-dilaurylphenyl)tridecylammonium
Formula: C43H82N+
MolecularWeight: 613.11788
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)C(CCCCCCCCCCCC)[NH3+])CCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)C(CCCCCCCCCCCC)[NH3+])CCCCCCCCCCCC


InChI

InChI=1S/C43H81N/c1-4-7-10-13-16-19-22-25-28-31-35-40-36-34-38-42(41(40)37-32-29-26-23-20-17-14-11-8-5-2)43(44)39-33-30-27-24-21-18-15-12-9-6-3/h34,36,38,43H,4-33,35,37,39,44H2,1-3H3/p+1


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