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

Systemtic Name: O2-(2-methylpropyl) O1-[(E)-pent-2-en-4-ynyl] benzene-1,2-dicarboxylate Openeye Name: O2-isobutyl O1-[(E)-pent-2-en-4-ynyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2-methylpropyl) ester O1-[(E)-pent-2-en-4-ynyl] ester IUPAC Name: 2-O-(2-methylpropyl) 1-O-[(E)-pent-2-en-4-ynyl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-isobutyl ester O1-[(E)-pent-2-en-4-ynyl] ester Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4/c1-4-5-8-11-20-16(18)14-9-6-7-10-15(14)17(19)21-12-13(2)3/h1,5-10,13H,11-12H2,2-3H3/b8-5+