O1-(2,2-dimethylpropyl) O2-non-5-yn-3-yl benzene-1,2-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCC(CC)OC(=O)C1=CC=CC=C1C(=O)OCC(C)(C)C

Isomeric SMILES

CCCC#CCC(CC)OC(=O)C1=CC=CC=C1C(=O)OCC(C)(C)C

InChI

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