O1-butyl O2-non-5-yn-3-yl benzene-1,2-dicarboxylate

Systemtic Name: O1-butyl O2-non-5-yn-3-yl benzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-(1-ethylhept-3-ynyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-non-5-yn-3-yl ester IUPAC Name: 1-O-butyl 2-O-non-5-yn-3-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-(1-ethylhept-3-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)CC#CCCC

Isomeric SMILES

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

InChI

InChI=1S/C21H28O4/c1-4-7-9-10-13-17(6-3)25-21(23)19-15-12-11-14-18(19)20(22)24-16-8-5-2/h11-12,14-15,17H,4-8,13,16H2,1-3H3