benzoic acid; tetrahexylazanium

Systemtic Name: benzoic acid; tetrahexylazanium Openeye Name: benzoic acid; tetrahexylammonium CAS Name: benzoic acid; tetrahexylammonium IUPAC Name: benzoic acid; tetrahexylazanium Traditional Name: benzoic acid; tetrahexylammonium Formula: C31H58NO2+ MolecularWeight: 476.79772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C24H52N.C7H6O2/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;8-7(9)6-4-2-1-3-5-6/h5-24H2,1-4H3;1-5H,(H,8,9)/q+1;