1,3-bis(oxidanyl)propan-2-yl 4-(hexadecylamino)benzoate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl 4-(hexadecylamino)benzoate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C26H45NO4 MolecularWeight: 435.6398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(CO)CO

InChI

InChI=1S/C26H45NO4/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)31-25(21-28)22-29/h16-19,25,27-29H,2-15,20-22H2,1H3