O1-butyl O2-(2,2-dimethylpropyl) 3-methylbenzene-1,2-dicarboxylate

Systemtic Name: O1-butyl O2-(2,2-dimethylpropyl) 3-methylbenzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-(2,2-dimethylpropyl) 3-methylbenzene-1,2-dicarboxylate CAS Name: 3-methylbenzene-1,2-dicarboxylic acid O1-butyl ester O2-(2,2-dimethylpropyl) ester IUPAC Name: 1-O-butyl 2-O-(2,2-dimethylpropyl) 3-methylbenzene-1,2-dicarboxylate Traditional Name: 3-methylbenzene-1,2-dicarboxylic acid O1-butyl ester O2-neopentyl ester Formula: C18H26O4 MolecularWeight: 306.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O4/c1-6-7-11-21-16(19)14-10-8-9-13(2)15(14)17(20)22-12-18(3,4)5/h8-10H,6-7,11-12H2,1-5H3