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

Systemtic Name: O2-non-5-yn-3-yl O1-undecyl benzene-1,2-dicarboxylate Openeye Name: O2-(1-ethylhept-3-ynyl) O1-undecyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-non-5-yn-3-yl ester O1-undecyl ester IUPAC Name: 2-O-non-5-yn-3-yl 1-O-undecyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-ethylhept-3-ynyl) ester O1-undecyl ester Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O4/c1-4-7-9-11-12-13-14-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24(6-3)20-16-10-8-5-2/h17-18,21-22,24H,4-9,11-15,19-20,23H2,1-3H3