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

Systemtic Name: O1-heptyl O2-non-5-yn-3-yl benzene-1,2-dicarboxylate Openeye Name: O2-(1-ethylhept-3-ynyl) O1-heptyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-heptyl ester O2-non-5-yn-3-yl ester IUPAC Name: 1-O-heptyl 2-O-non-5-yn-3-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-ethylhept-3-ynyl) ester O1-heptyl ester Formula: C24H34O4 MolecularWeight: 386.52436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34O4/c1-4-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20(6-3)16-12-10-8-5-2/h13-14,17-18,20H,4-9,11,15-16,19H2,1-3H3