(1-chloranyl-1-oxidanylidene-propan-2-yl) 4-(hexadecylamino)benzoate hydrochloride

Systemtic Name: (1-chloranyl-1-oxidanylidene-propan-2-yl) 4-(hexadecylamino)benzoate hydrochloride Openeye Name: (2-chloro-1-methyl-2-oxo-ethyl) 4-(hexadecylamino)benzoate hydrochloride CAS Name: 4-(hexadecylamino)benzoic acid (1-chloro-1-oxopropan-2-yl) ester hydrochloride IUPAC Name: (1-chloro-1-oxopropan-2-yl) 4-(hexadecylamino)benzoate hydrochloride Traditional Name: 4-(cetylamino)benzoic acid (2-chloro-2-keto-1-methyl-ethyl) ester hydrochloride Formula: C26H43Cl2NO3 MolecularWeight: 488.53052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)C(=O)Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)C(=O)Cl.Cl

InChI

InChI=1S/C26H42ClNO3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-24-19-17-23(18-20-24)26(30)31-22(2)25(27)29;/h17-20,22,28H,3-16,21H2,1-2H3;1H