O1-heptyl O2-hex-4-yn-3-yl benzene-1,2-dicarboxylate

Systemtic Name: O1-heptyl O2-hex-4-yn-3-yl benzene-1,2-dicarboxylate Openeye Name: O2-(1-ethylbut-2-ynyl) O1-heptyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-heptyl ester O2-hex-4-yn-3-yl ester IUPAC Name: 1-O-heptyl 2-O-hex-4-yn-3-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-ethylbut-2-ynyl) ester O1-heptyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O4/c1-4-7-8-9-12-16-24-20(22)18-14-10-11-15-19(18)21(23)25-17(6-3)13-5-2/h10-11,14-15,17H,4,6-9,12,16H2,1-3H3