1,3,4-tris(oxidanyl)butan-2-yl 4-(hexadecylamino)benzoate

Systemtic Name: 1,3,4-tris(oxidanyl)butan-2-yl 4-(hexadecylamino)benzoate Openeye Name: [2,3-dihydroxy-1-(hydroxymethyl)propyl] 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid 1,3,4-trihydroxybutan-2-yl ester IUPAC Name: 1,3,4-trihydroxybutan-2-yl 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid (2,3-dihydroxy-1-methylol-propyl) ester Formula: C27H47NO5 MolecularWeight: 465.66578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-24-18-16-23(17-19-24)27(32)33-26(22-30)25(31)21-29/h16-19,25-26,28-31H,2-15,20-22H2,1H3