O1-butyl O2-(4-methylpentyl) 4-ethyl-5-methyl-benzene-1,2-dicarboxylate

Systemtic Name: O1-butyl O2-(4-methylpentyl) 4-ethyl-5-methyl-benzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-isohexyl 4-ethyl-5-methyl-benzene-1,2-dicarboxylate CAS Name: 4-ethyl-5-methylbenzene-1,2-dicarboxylic acid O1-butyl ester O2-(4-methylpentyl) ester IUPAC Name: 1-O-butyl 2-O-(4-methylpentyl) 4-ethyl-5-methylbenzene-1,2-dicarboxylate Traditional Name: 4-ethyl-5-methyl-benzene-1,2-dicarboxylic acid O1-butyl ester O2-isohexyl ester Formula: C21H32O4 MolecularWeight: 348.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C=C1C(=O)OCCCC(C)C)CC)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C=C1C(=O)OCCCC(C)C)CC)C

InChI

InChI=1S/C21H32O4/c1-6-8-11-24-20(22)18-13-16(5)17(7-2)14-19(18)21(23)25-12-9-10-15(3)4/h13-15H,6-12H2,1-5H3