O2-(2,7-dimethyloct-7-en-5-yn-4-yl) O1-undecyl benzene-1,2-dicarboxylate

Systemtic Name: O2-(2,7-dimethyloct-7-en-5-yn-4-yl) O1-undecyl benzene-1,2-dicarboxylate Openeye Name: O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) O1-undecyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2,7-dimethyloct-7-en-5-yn-4-yl) ester O1-undecyl ester IUPAC Name: 2-O-(2,7-dimethyloct-7-en-5-yn-4-yl) 1-O-undecyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester O1-undecyl ester Formula: C29H42O4 MolecularWeight: 454.64138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O4/c1-6-7-8-9-10-11-12-13-16-21-32-28(30)26-17-14-15-18-27(26)29(31)33-25(22-24(4)5)20-19-23(2)3/h14-15,17-18,24-25H,2,6-13,16,21-22H2,1,3-5H3