O1-ethyl O2-(4-methylpentyl) 4,5-diethylbenzene-1,2-dicarboxylate

Systemtic Name: O1-ethyl O2-(4-methylpentyl) 4,5-diethylbenzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-isohexyl 4,5-diethylbenzene-1,2-dicarboxylate CAS Name: 4,5-diethylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-(4-methylpentyl) ester IUPAC Name: 1-O-ethyl 2-O-(4-methylpentyl) 4,5-diethylbenzene-1,2-dicarboxylate Traditional Name: 4,5-diethylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-isohexyl ester Formula: C20H30O4 MolecularWeight: 334.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)OCC)C(=O)OCCCC(C)C)CC

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)OCC)C(=O)OCCCC(C)C)CC

InChI

InChI=1S/C20H30O4/c1-6-15-12-17(19(21)23-8-3)18(13-16(15)7-2)20(22)24-11-9-10-14(4)5/h12-14H,6-11H2,1-5H3