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

Systemtic Name: O2-(2-methyloct-5-yn-4-yl) O1-undecyl benzene-1,2-dicarboxylate Openeye Name: O2-(1-isobutylpent-2-ynyl) O1-undecyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2-methyloct-5-yn-4-yl) ester O1-undecyl ester IUPAC Name: 2-O-(2-methyloct-5-yn-4-yl) 1-O-undecyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-isobutylpent-2-ynyl) ester O1-undecyl ester Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O4/c1-5-7-9-10-11-12-13-14-17-21-31-27(29)25-19-15-16-20-26(25)28(30)32-24(18-8-6-2)22-23(3)4/h15-16,19-20,23-24H,5-7,9-14,17,21-22H2,1-4H3