O2-(2-methyloct-5-yn-4-yl) O1-(2-methylpropyl) benzene-1,2-dicarboxylate

Systemtic Name: O2-(2-methyloct-5-yn-4-yl) O1-(2-methylpropyl) benzene-1,2-dicarboxylate Openeye Name: O1-isobutyl O2-(1-isobutylpent-2-ynyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2-methyloct-5-yn-4-yl) ester O1-(2-methylpropyl) ester IUPAC Name: 2-O-(2-methyloct-5-yn-4-yl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-isobutyl ester O2-(1-isobutylpent-2-ynyl) ester Formula: C21H28O4 MolecularWeight: 344.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(CC(C)C)OC(=O)C1=CC=CC=C1C(=O)OCC(C)C

Isomeric SMILES

CCC#CC(CC(C)C)OC(=O)C1=CC=CC=C1C(=O)OCC(C)C

InChI

InChI=1S/C21H28O4/c1-6-7-10-17(13-15(2)3)25-21(23)19-12-9-8-11-18(19)20(22)24-14-16(4)5/h8-9,11-12,15-17H,6,13-14H2,1-5H3