2,3-bis(oxidanyl)propyl 4-(hexadecylamino)benzoate hydrochloride

Systemtic Name: 2,3-bis(oxidanyl)propyl 4-(hexadecylamino)benzoate hydrochloride Openeye Name: 2,3-dihydroxypropyl 4-(hexadecylamino)benzoate hydrochloride CAS Name: 4-(hexadecylamino)benzoic acid 2,3-dihydroxypropyl ester hydrochloride IUPAC Name: 2,3-dihydroxypropyl 4-(hexadecylamino)benzoate hydrochloride Traditional Name: 4-(cetylamino)benzoic acid glyceryl ester hydrochloride Formula: C26H46ClNO4 MolecularWeight: 472.10074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC(CO)O.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC(CO)O.Cl

InChI

InChI=1S/C26H45NO4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24-18-16-23(17-19-24)26(30)31-22-25(29)21-28;/h16-19,25,27-29H,2-15,20-22H2,1H3;1H