3-chloranylbenzoate; tetrabutylazanium

Systemtic Name: 3-chloranylbenzoate; tetrabutylazanium Openeye Name: 3-chlorobenzoate; tetrabutylammonium CAS Name: 3-chlorobenzoate; tetrabutylammonium IUPAC Name: 3-chlorobenzoate; tetrabutylazanium Traditional Name: 3-chlorobenzoate; tetrabutylammonium Formula: C23H40ClNO2 MolecularWeight: 398.0222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C7H5ClO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6-3-1-2-5(4-6)7(9)10/h5-16H2,1-4H3;1-4H,(H,9,10)/q+1;/p-1