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

Systemtic Name: O2-non-5-yn-3-yl O1-pentyl benzene-1,2-dicarboxylate Openeye Name: O2-(1-ethylhept-3-ynyl) O1-pentyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-non-5-yn-3-yl ester O1-pentyl ester IUPAC Name: 2-O-non-5-yn-3-yl 1-O-pentyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-amyl ester O2-(1-ethylhept-3-ynyl) ester Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O4/c1-4-7-9-10-14-18(6-3)26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-5-2/h11-12,15-16,18H,4-8,13-14,17H2,1-3H3