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

Systemtic Name: O2-(2-methyloct-5-yn-4-yl) O1-octyl benzene-1,2-dicarboxylate Openeye Name: O2-(1-isobutylpent-2-ynyl) O1-octyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2-methyloct-5-yn-4-yl) ester O1-octyl ester IUPAC Name: 2-O-(2-methyloct-5-yn-4-yl) 1-O-octyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-isobutylpent-2-ynyl) ester O1-octyl ester Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36O4/c1-5-7-9-10-11-14-18-28-24(26)22-16-12-13-17-23(22)25(27)29-21(15-8-6-2)19-20(3)4/h12-13,16-17,20-21H,5-7,9-11,14,18-19H2,1-4H3