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

Systemtic Name: O2-(2,7-dimethyloct-7-en-5-yn-4-yl) O1-heptyl benzene-1,2-dicarboxylate Openeye Name: O1-heptyl O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2,7-dimethyloct-7-en-5-yn-4-yl) ester O1-heptyl ester IUPAC Name: 2-O-(2,7-dimethyloct-7-en-5-yn-4-yl) 1-O-heptyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-heptyl ester O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C25H34O4 MolecularWeight: 398.53506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34O4/c1-6-7-8-9-12-17-28-24(26)22-13-10-11-14-23(22)25(27)29-21(18-20(4)5)16-15-19(2)3/h10-11,13-14,20-21H,2,6-9,12,17-18H2,1,3-5H3