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

Systemtic Name: O2-(2,7-dimethyloct-7-en-5-yn-4-yl) O1-pentyl benzene-1,2-dicarboxylate Openeye Name: O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) O1-pentyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2,7-dimethyloct-7-en-5-yn-4-yl) ester O1-pentyl ester IUPAC Name: 2-O-(2,7-dimethyloct-7-en-5-yn-4-yl) 1-O-pentyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-amyl ester O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C23H30O4 MolecularWeight: 370.4819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O4/c1-6-7-10-15-26-22(24)20-11-8-9-12-21(20)23(25)27-19(16-18(4)5)14-13-17(2)3/h8-9,11-12,18-19H,2,6-7,10,15-16H2,1,3-5H3