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

Systemtic Name: O1-butyl O2-(2-methyloct-5-yn-4-yl) benzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-(1-isobutylpent-2-ynyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-(2-methyloct-5-yn-4-yl) ester IUPAC Name: 1-O-butyl 2-O-(2-methyloct-5-yn-4-yl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-(1-isobutylpent-2-ynyl) ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O4/c1-5-7-11-17(15-16(3)4)25-21(23)19-13-10-9-12-18(19)20(22)24-14-8-6-2/h9-10,12-13,16-17H,5-6,8,14-15H2,1-4H3