4-heptylbenzoate; tetrabutylazanium

Systemtic Name: 4-heptylbenzoate; tetrabutylazanium Openeye Name: 4-heptylbenzoate; tetrabutylammonium CAS Name: 4-heptylbenzoate; tetrabutylammonium IUPAC Name: 4-heptylbenzoate; tetrabutylazanium Traditional Name: 4-heptylbenzoate; tetrabutylammonium Formula: C30H55NO2 MolecularWeight: 461.7632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC

InChI

InChI=1S/C16H36N.C14H20O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h5-16H2,1-4H3;8-11H,2-7H2,1H3,(H,15,16)/q+1;/p-1