(phenylmethyl) 3-octyltridecanoate

Systemtic Name: (phenylmethyl) 3-octyltridecanoate Openeye Name: benzyl 3-octyltridecanoate CAS Name: 3-octyltridecanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-octyltridecanoate Traditional Name: 3-octyltridecanoic acid benzyl ester Formula: C28H48O2 MolecularWeight: 416.67952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C28H48O2/c1-3-5-7-9-11-12-14-17-21-26(20-16-13-10-8-6-4-2)24-28(29)30-25-27-22-18-15-19-23-27/h15,18-19,22-23,26H,3-14,16-17,20-21,24-25H2,1-2H3