phenyl 2-tridecyloctadecanoate

Systemtic Name: phenyl 2-tridecyloctadecanoate Openeye Name: phenyl 2-tridecyloctadecanoate CAS Name: 2-tridecyloctadecanoic acid phenyl ester IUPAC Name: phenyl 2-tridecyloctadecanoate Traditional Name: 2-tridecylstearic acid phenyl ester Formula: C37H66O2 MolecularWeight: 542.91874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C37H66O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-28-32-35(37(38)39-36-33-29-26-30-34-36)31-27-24-22-20-18-14-12-10-8-6-4-2/h26,29-30,33-35H,3-25,27-28,31-32H2,1-2H3