(3-methylphenyl) 3-octyltridecanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CC(=O)OC1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CC(=O)OC1=CC=CC(=C1)C

InChI

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