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tritriacontan-17-ylazanium ethanoate

tritriacontan-17-ylazanium ethanoate

Systemtic Name:tritriacontan-17-ylazanium ethanoate
Openeye Name:1-hexadecylheptadecylammonium acetate
CAS Name:tritriacontan-17-ylammonium acetate
IUPAC Name:tritriacontan-17-ylazanium acetate
Traditional Name:1-cetylheptadecylammonium acetate
Formula: C35H73NO2
MolecularWeight: 539.95962
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)[NH3+].CC(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)[NH3+].CC(=O)[O-]


InChI

InChI=1S/C33H69N.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h33H,3-32,34H2,1-2H3;1H3,(H,3,4)


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