O1-hexadecyl O2-(2-methylphenyl) ethanedioate

Systemtic Name: O1-hexadecyl O2-(2-methylphenyl) ethanedioate Openeye Name: O1-hexadecyl O2-(o-tolyl) oxalate CAS Name: oxalic acid O1-hexadecyl ester O2-(2-methylphenyl) ester IUPAC Name: 1-O-hexadecyl 2-O-(2-methylphenyl) oxalate Traditional Name: oxalic acid O1-cetyl ester O2-(o-tolyl) ester Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(=O)OC1=CC=CC=C1C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(=O)OC1=CC=CC=C1C

InChI

InChI=1S/C25H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-28-24(26)25(27)29-23-20-17-16-19-22(23)2/h16-17,19-20H,3-15,18,21H2,1-2H3