O2-hex-4-yn-3-yl O1-(4-methylpentyl) benzene-1,2-dicarboxylate

Systemtic Name: O2-hex-4-yn-3-yl O1-(4-methylpentyl) benzene-1,2-dicarboxylate Openeye Name: O2-(1-ethylbut-2-ynyl) O1-isohexyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-hex-4-yn-3-yl ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-hex-4-yn-3-yl 1-O-(4-methylpentyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-ethylbut-2-ynyl) ester O1-isohexyl ester Formula: C20H26O4 MolecularWeight: 330.41804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O4/c1-5-10-16(6-2)24-20(22)18-13-8-7-12-17(18)19(21)23-14-9-11-15(3)4/h7-8,12-13,15-16H,6,9,11,14H2,1-4H3