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

Systemtic Name: O1-hexyl O2-non-5-yn-3-yl benzene-1,2-dicarboxylate Openeye Name: O2-(1-ethylhept-3-ynyl) O1-hexyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-hexyl ester O2-non-5-yn-3-yl ester IUPAC Name: 1-O-hexyl 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-hexyl ester Formula: C23H32O4 MolecularWeight: 372.49778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32O4/c1-4-7-9-11-15-19(6-3)27-23(25)21-17-13-12-16-20(21)22(24)26-18-14-10-8-5-2/h12-13,16-17,19H,4-8,10,14-15,18H2,1-3H3