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

Systemtic Name: (4-octadecanoyloxy-3-octadecyl-phenyl) octadecanoate Openeye Name: (4-octadecanoyloxy-3-octadecyl-phenyl) octadecanoate CAS Name: octadecanoic acid [3-octadecyl-4-(1-oxooctadecoxy)phenyl] ester IUPAC Name: (4-octadecanoyloxy-3-octadecylphenyl) octadecanoate Traditional Name: stearic acid (4-stearoyloxy-3-stearyl-phenyl) ester Formula: C60H110O4 MolecularWeight: 895.513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C60H110O4/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-56-55-57(63-59(61)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)53-54-58(56)64-60(62)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h53-55H,4-52H2,1-3H3