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

Systemtic Name: O1-hexyl O2-hex-4-yn-3-yl benzene-1,2-dicarboxylate Openeye Name: O2-(1-ethylbut-2-ynyl) O1-hexyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-hexyl ester O2-hex-4-yn-3-yl ester IUPAC Name: 1-O-hexyl 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-hexyl ester Formula: C20H26O4 MolecularWeight: 330.41804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O4/c1-4-7-8-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16(6-3)12-5-2/h9-10,13-14,16H,4,6-8,11,15H2,1-3H3