2-hexyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-hexadecanoate

Systemtic Name: 2-hexyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-hexadecanoate Openeye Name: 3-benzoyloxy-5-benzyloxy-2-hexyl-hexadecanoate CAS Name: 3-benzoyloxy-2-hexyl-5-phenylmethoxyhexadecanoate IUPAC Name: 3-benzoyloxy-2-hexyl-5-phenylmethoxyhexadecanoate Traditional Name: 5-benzoxy-3-benzoyloxy-2-hexyl-palmitate Formula: C36H53O5- MolecularWeight: 565.80302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)[O-])OC(=O)C1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)[O-])OC(=O)C1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C36H54O5/c1-3-5-7-9-10-11-12-13-20-26-32(40-29-30-22-16-14-17-23-30)28-34(33(35(37)38)27-21-8-6-4-2)41-36(39)31-24-18-15-19-25-31/h14-19,22-25,32-34H,3-13,20-21,26-29H2,1-2H3,(H,37,38)/p-1