(2-methylphenyl) 3-octyltridecanoate

Systemtic Name: (2-methylphenyl) 3-octyltridecanoate Openeye Name: o-tolyl 3-octyltridecanoate CAS Name: 3-octyltridecanoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3-octyltridecanoate Traditional Name: 3-octyltridecanoic acid o-tolyl ester Formula: C28H48O2 MolecularWeight: 416.67952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CC(=O)OC1=CC=CC=C1C

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CC(=O)OC1=CC=CC=C1C

InChI

InChI=1S/C28H48O2/c1-4-6-8-10-12-13-15-17-22-26(21-16-14-11-9-7-5-2)24-28(29)30-27-23-19-18-20-25(27)3/h18-20,23,26H,4-17,21-22,24H2,1-3H3