[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 4-(hexadecylamino)benzoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 4-(hexadecylamino)benzoate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C28H49NO5 MolecularWeight: 479.69236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H49NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-26-18-16-25(17-19-26)27(33)34-24-28(21-30,22-31)23-32/h16-19,29-32H,2-15,20-24H2,1H3