O1-(4-methylpentyl) O2-[(E)-pent-2-en-4-ynyl] benzene-1,2-dicarboxylate

Systemtic Name: O1-(4-methylpentyl) O2-[(E)-pent-2-en-4-ynyl] benzene-1,2-dicarboxylate Openeye Name: O1-isohexyl O2-[(E)-pent-2-en-4-ynyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-(4-methylpentyl) ester O2-[(E)-pent-2-en-4-ynyl] ester IUPAC Name: 1-O-(4-methylpentyl) 2-O-[(E)-pent-2-en-4-ynyl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-isohexyl ester O2-[(E)-pent-2-en-4-ynyl] ester Formula: C19H22O4 MolecularWeight: 314.37558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCC=CC#C

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OC/C=C/C#C

InChI

InChI=1S/C19H22O4/c1-4-5-8-13-22-18(20)16-11-6-7-12-17(16)19(21)23-14-9-10-15(2)3/h1,5-8,11-12,15H,9-10,13-14H2,2-3H3/b8-5+