2-[3,5-bis(chloranyl)hexadecylamino]benzoate

Systemtic Name: 2-[3,5-bis(chloranyl)hexadecylamino]benzoate Openeye Name: 2-(3,5-dichlorohexadecylamino)benzoate CAS Name: 2-(3,5-dichlorohexadecylamino)benzoate IUPAC Name: 2-(3,5-dichlorohexadecylamino)benzoate Traditional Name: 2-(3,5-dichlorohexadecylamino)benzoate Formula: C23H36Cl2NO2- MolecularWeight: 429.44344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(CCNC1=CC=CC=C1C(=O)[O-])Cl)Cl

Isomeric SMILES

CCCCCCCCCCCC(CC(CCNC1=CC=CC=C1C(=O)[O-])Cl)Cl

InChI

InChI=1S/C23H37Cl2NO2/c1-2-3-4-5-6-7-8-9-10-13-19(24)18-20(25)16-17-26-22-15-12-11-14-21(22)23(27)28/h11-12,14-15,19-20,26H,2-10,13,16-18H2,1H3,(H,27,28)/p-1