4-chloranylbenzoate; diethyl(dihexadecyl)azanium

Systemtic Name: 4-chloranylbenzoate; diethyl(dihexadecyl)azanium Openeye Name: 4-chlorobenzoate; diethyl(dihexadecyl)ammonium CAS Name: 4-chlorobenzoate; diethyl(dihexadecyl)ammonium IUPAC Name: 4-chlorobenzoate; diethyl(dihexadecyl)azanium Traditional Name: 4-chlorobenzoate; dicetyl(diethyl)ammonium Formula: C43H80ClNO2 MolecularWeight: 678.5538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCCCCCC.C1=CC(=CC=C1C(=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCCCCCC.C1=CC(=CC=C1C(=O)[O-])Cl

InChI

InChI=1S/C36H76N.C7H5ClO2/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(7-3,8-4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2;8-6-3-1-5(2-4-6)7(9)10/h5-36H2,1-4H3;1-4H,(H,9,10)/q+1;/p-1