2,3-bis(oxidanyl)propyl 4-(16-bromanylhexadecylamino)benzoate

Systemtic Name: 2,3-bis(oxidanyl)propyl 4-(16-bromanylhexadecylamino)benzoate Openeye Name: 2,3-dihydroxypropyl 4-(16-bromohexadecylamino)benzoate CAS Name: 4-(16-bromohexadecylamino)benzoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 4-(16-bromohexadecylamino)benzoate Traditional Name: 4-(16-bromohexadecylamino)benzoic acid glyceryl ester Formula: C26H44BrNO4 MolecularWeight: 514.53586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(CO)O)NCCCCCCCCCCCCCCCCBr

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(CO)O)NCCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C26H44BrNO4/c27-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-28-24-17-15-23(16-18-24)26(31)32-22-25(30)21-29/h15-18,25,28-30H,1-14,19-22H2