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

Systemtic Name: O1-decyl O2-(2,7-dimethyloct-7-en-5-yn-4-yl) benzene-1,2-dicarboxylate Openeye Name: O1-decyl O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-decyl ester O2-(2,7-dimethyloct-7-en-5-yn-4-yl) ester IUPAC Name: 1-O-decyl 2-O-(2,7-dimethyloct-7-en-5-yn-4-yl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-decyl ester O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C28H40O4 MolecularWeight: 440.6148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O4/c1-6-7-8-9-10-11-12-15-20-31-27(29)25-16-13-14-17-26(25)28(30)32-24(21-23(4)5)19-18-22(2)3/h13-14,16-17,23-24H,2,6-12,15,20-21H2,1,3-5H3