O2-(2-methyloct-5-yn-4-yl) O1-propyl benzene-1,2-dicarboxylate

Systemtic Name: O2-(2-methyloct-5-yn-4-yl) O1-propyl benzene-1,2-dicarboxylate Openeye Name: O2-(1-isobutylpent-2-ynyl) O1-propyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2-methyloct-5-yn-4-yl) ester O1-propyl ester IUPAC Name: 2-O-(2-methyloct-5-yn-4-yl) 1-O-propyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-isobutylpent-2-ynyl) ester O1-propyl ester Formula: C20H26O4 MolecularWeight: 330.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1C(=O)OC(CC(C)C)C#CCC

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1C(=O)OC(CC(C)C)C#CCC

InChI

InChI=1S/C20H26O4/c1-5-7-10-16(14-15(3)4)24-20(22)18-12-9-8-11-17(18)19(21)23-13-6-2/h8-9,11-12,15-16H,5-6,13-14H2,1-4H3