3-chloranylbenzoate; tributyl(methyl)azanium

Systemtic Name: 3-chloranylbenzoate; tributyl(methyl)azanium Openeye Name: 3-chlorobenzoate; tributyl(methyl)ammonium CAS Name: 3-chlorobenzoate; tributyl(methyl)ammonium IUPAC Name: 3-chlorobenzoate; tributyl(methyl)azanium Traditional Name: 3-chlorobenzoate; tributyl(methyl)ammonium Formula: C20H34ClNO2 MolecularWeight: 355.94246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H30N.C7H5ClO2/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;8-6-3-1-2-5(4-6)7(9)10/h5-13H2,1-4H3;1-4H,(H,9,10)/q+1;/p-1