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

Systemtic Name: O1-(2-ethylhexyl) O2-non-5-yn-3-yl benzene-1,2-dicarboxylate Openeye Name: O2-(1-ethylhept-3-ynyl) O1-(2-ethylhexyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-(2-ethylhexyl) ester O2-non-5-yn-3-yl ester IUPAC Name: 1-O-(2-ethylhexyl) 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-(2-ethylhexyl) ester Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OC(CC)CC#CCCC

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OC(CC)CC#CCCC

InChI

InChI=1S/C25H36O4/c1-5-9-11-12-16-21(8-4)29-25(27)23-18-14-13-17-22(23)24(26)28-19-20(7-3)15-10-6-2/h13-14,17-18,20-21H,5-10,15-16,19H2,1-4H3