(3-octadecanoyl-4-octadecanoyloxy-phenyl) octadecanoate

Systemtic Name: (3-octadecanoyl-4-octadecanoyloxy-phenyl) octadecanoate Openeye Name: (3-octadecanoyl-4-octadecanoyloxy-phenyl) octadecanoate CAS Name: octadecanoic acid [4-(1-oxooctadecoxy)-3-(1-oxooctadecyl)phenyl] ester IUPAC Name: (3-octadecanoyl-4-octadecanoyloxyphenyl) octadecanoate Traditional Name: stearic acid (3-stearoyl-4-stearoyloxy-phenyl) ester Formula: C60H108O5 MolecularWeight: 909.49652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C60H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(61)56-54-55(64-59(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)52-53-58(56)65-60(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h52-54H,4-51H2,1-3H3