hexadecan-1-amine; [2-oxidanyl-3-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: hexadecan-1-amine; [2-oxidanyl-3-(phenylcarbonyloxy)propyl] benzoate Openeye Name: (3-benzoyloxy-2-hydroxy-propyl) benzoate; hexadecan-1-amine CAS Name: benzoic acid (3-benzoyloxy-2-hydroxypropyl) ester; 1-hexadecanamine IUPAC Name: (3-benzoyloxy-2-hydroxypropyl) benzoate; hexadecan-1-amine Traditional Name: benzoic acid (3-benzoyloxy-2-hydroxy-propyl) ester; cetylamine Formula: C33H51NO5 MolecularWeight: 541.76174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN.C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN.C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C17H16O5.C16H35N/c18-15(11-21-16(19)13-7-3-1-4-8-13)12-22-17(20)14-9-5-2-6-10-14;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h1-10,15,18H,11-12H2;2-17H2,1H3