O1-hexyl O2-(2-methyloct-5-yn-4-yl) benzene-1,2-dicarboxylate

Systemtic Name: O1-hexyl O2-(2-methyloct-5-yn-4-yl) benzene-1,2-dicarboxylate Openeye Name: O1-hexyl O2-(1-isobutylpent-2-ynyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-hexyl ester O2-(2-methyloct-5-yn-4-yl) ester IUPAC Name: 1-O-hexyl 2-O-(2-methyloct-5-yn-4-yl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-hexyl ester O2-(1-isobutylpent-2-ynyl) ester Formula: C23H32O4 MolecularWeight: 372.49778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32O4/c1-5-7-9-12-16-26-22(24)20-14-10-11-15-21(20)23(25)27-19(13-8-6-2)17-18(3)4/h10-11,14-15,18-19H,5-7,9,12,16-17H2,1-4H3