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

Systemtic Name: O1-heptyl O2-(2-methyloct-5-yn-4-yl) benzene-1,2-dicarboxylate Openeye Name: O1-heptyl O2-(1-isobutylpent-2-ynyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-heptyl ester O2-(2-methyloct-5-yn-4-yl) ester IUPAC Name: 1-O-heptyl 2-O-(2-methyloct-5-yn-4-yl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-heptyl ester O2-(1-isobutylpent-2-ynyl) 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(C)C)C#CCC

Isomeric SMILES

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

InChI

InChI=1S/C24H34O4/c1-5-7-9-10-13-17-27-23(25)21-15-11-12-16-22(21)24(26)28-20(14-8-6-2)18-19(3)4/h11-12,15-16,19-20H,5-7,9-10,13,17-18H2,1-4H3