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

Systemtic Name: O1-butyl O2-(2,7-dimethyloct-7-en-5-yn-4-yl) benzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-(2,7-dimethyloct-7-en-5-yn-4-yl) ester IUPAC Name: 1-O-butyl 2-O-(2,7-dimethyloct-7-en-5-yn-4-yl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O4/c1-6-7-14-25-21(23)19-10-8-9-11-20(19)22(24)26-18(15-17(4)5)13-12-16(2)3/h8-11,17-18H,2,6-7,14-15H2,1,3-5H3