O1-(2-methylpropyl) O2-non-5-yn-3-yl benzene-1,2-dicarboxylate

Systemtic Name: O1-(2-methylpropyl) O2-non-5-yn-3-yl benzene-1,2-dicarboxylate Openeye Name: O2-(1-ethylhept-3-ynyl) O1-isobutyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-(2-methylpropyl) ester O2-non-5-yn-3-yl ester IUPAC Name: 1-O-(2-methylpropyl) 2-O-non-5-yn-3-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-ethylhept-3-ynyl) ester O1-isobutyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O4/c1-5-7-8-9-12-17(6-2)25-21(23)19-14-11-10-13-18(19)20(22)24-15-16(3)4/h10-11,13-14,16-17H,5-7,12,15H2,1-4H3