[3-hexadecanoyloxy-2-[2-(4-phenylphenyl)ethanoyloxy]propyl] heptadecanoate

Systemtic Name: [3-hexadecanoyloxy-2-[2-(4-phenylphenyl)ethanoyloxy]propyl] heptadecanoate Openeye Name: [3-hexadecanoyloxy-2-[2-(4-phenylphenyl)acetyl]oxy-propyl] heptadecanoate CAS Name: heptadecanoic acid [3-(1-oxohexadecoxy)-2-[1-oxo-2-(4-phenylphenyl)ethoxy]propyl] ester IUPAC Name: [3-hexadecanoyloxy-2-[2-(4-phenylphenyl)acetyl]oxypropyl] heptadecanoate Traditional Name: heptadecanoic acid [3-hexadecanoyloxy-2-[2-(4-phenylphenyl)acetyl]oxy-propyl] ester Formula: C50H80O6 MolecularWeight: 777.1666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C50H80O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-49(52)55-43-47(56-50(53)41-44-37-39-46(40-38-44)45-33-29-28-30-34-45)42-54-48(51)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h28-30,33-34,37-40,47H,3-27,31-32,35-36,41-43H2,1-2H3