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

Systemtic Name: O2-(2,7-dimethyloct-7-en-5-yn-4-yl) O1-hexyl benzene-1,2-dicarboxylate Openeye Name: O1-hexyl 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-hexyl ester IUPAC Name: 2-O-(2,7-dimethyloct-7-en-5-yn-4-yl) 1-O-hexyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-hexyl ester O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C24H32O4 MolecularWeight: 384.50848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32O4/c1-6-7-8-11-16-27-23(25)21-12-9-10-13-22(21)24(26)28-20(17-19(4)5)15-14-18(2)3/h9-10,12-13,19-20H,2,6-8,11,16-17H2,1,3-5H3