O2-butyl O1-(4-methylpentyl) 3-ethylbenzene-1,2-dicarboxylate

Systemtic Name: O2-butyl O1-(4-methylpentyl) 3-ethylbenzene-1,2-dicarboxylate Openeye Name: O2-butyl O1-isohexyl 3-ethylbenzene-1,2-dicarboxylate CAS Name: 3-ethylbenzene-1,2-dicarboxylic acid O2-butyl ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-butyl 1-O-(4-methylpentyl) 3-ethylbenzene-1,2-dicarboxylate Traditional Name: 3-ethylbenzene-1,2-dicarboxylic acid O2-butyl ester O1-isohexyl ester Formula: C20H30O4 MolecularWeight: 334.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC=C1CC)C(=O)OCCCC(C)C

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC=C1CC)C(=O)OCCCC(C)C

InChI

InChI=1S/C20H30O4/c1-5-7-13-24-20(22)18-16(6-2)11-8-12-17(18)19(21)23-14-9-10-15(3)4/h8,11-12,15H,5-7,9-10,13-14H2,1-4H3