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

Systemtic Name: O1-butyl O2-(2,2-dimethylpropyl) 4-ethyl-5-methyl-benzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-(2,2-dimethylpropyl) 4-ethyl-5-methyl-benzene-1,2-dicarboxylate CAS Name: 4-ethyl-5-methylbenzene-1,2-dicarboxylic acid O1-butyl ester O2-(2,2-dimethylpropyl) ester IUPAC Name: 1-O-butyl 2-O-(2,2-dimethylpropyl) 4-ethyl-5-methylbenzene-1,2-dicarboxylate Traditional Name: 4-ethyl-5-methyl-benzene-1,2-dicarboxylic acid O1-butyl ester O2-neopentyl ester Formula: C20H30O4 MolecularWeight: 334.4498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O4/c1-7-9-10-23-18(21)16-11-14(3)15(8-2)12-17(16)19(22)24-13-20(4,5)6/h11-12H,7-10,13H2,1-6H3