4-methylbenzoate; methyl(trioctyl)azanium

Systemtic Name: 4-methylbenzoate; methyl(trioctyl)azanium Openeye Name: 4-methylbenzoate; methyl(trioctyl)ammonium CAS Name: 4-methylbenzoate; methyl(trioctyl)ammonium IUPAC Name: 4-methylbenzoate; methyl(trioctyl)azanium Traditional Name: 4-methylbenzoate; methyl(trioctyl)ammonium Formula: C33H61NO2 MolecularWeight: 503.84294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C25H54N.C8H8O2/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-6-2-4-7(5-3-6)8(9)10/h5-25H2,1-4H3;2-5H,1H3,(H,9,10)/q+1;/p-1