2,4-dibutylbenzoate; tributyl(hexadecyl)azanium

Systemtic Name: 2,4-dibutylbenzoate; tributyl(hexadecyl)azanium Openeye Name: 2,4-dibutylbenzoate; tributyl(hexadecyl)ammonium CAS Name: 2,4-dibutylbenzoate; tributyl(hexadecyl)ammonium IUPAC Name: 2,4-dibutylbenzoate; tributyl(hexadecyl)azanium Traditional Name: 2,4-dibutylbenzoate; tributyl(cetyl)ammonium Formula: C43H81NO2 MolecularWeight: 644.10874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.CCCCC1=CC(=C(C=C1)C(=O)[O-])CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.CCCCC1=CC(=C(C=C1)C(=O)[O-])CCCC

InChI

InChI=1S/C28H60N.C15H22O2/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;1-3-5-7-12-9-10-14(15(16)17)13(11-12)8-6-4-2/h5-28H2,1-4H3;9-11H,3-8H2,1-2H3,(H,16,17)/q+1;/p-1