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

Systemtic Name: O2-(2-methyloct-5-yn-4-yl) O1-pentyl benzene-1,2-dicarboxylate Openeye Name: O2-(1-isobutylpent-2-ynyl) O1-pentyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2-methyloct-5-yn-4-yl) ester O1-pentyl ester IUPAC Name: 2-O-(2-methyloct-5-yn-4-yl) 1-O-pentyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-amyl ester O2-(1-isobutylpent-2-ynyl) ester Formula: C22H30O4 MolecularWeight: 358.4712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O4/c1-5-7-11-15-25-21(23)19-13-9-10-14-20(19)22(24)26-18(12-8-6-2)16-17(3)4/h9-10,13-14,17-18H,5-7,11,15-16H2,1-4H3