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

Systemtic Name: O1-(2,2-dimethylpropyl) O2-ethyl 4-chloranyl-5-ethyl-benzene-1,2-dicarboxylate Openeye Name: O1-(2,2-dimethylpropyl) O2-ethyl 4-chloro-5-ethyl-benzene-1,2-dicarboxylate CAS Name: 4-chloro-5-ethylbenzene-1,2-dicarboxylic acid O1-(2,2-dimethylpropyl) ester O2-ethyl ester IUPAC Name: 1-O-(2,2-dimethylpropyl) 2-O-ethyl 4-chloro-5-ethylbenzene-1,2-dicarboxylate Traditional Name: 4-chloro-5-ethyl-benzene-1,2-dicarboxylic acid O2-ethyl ester O1-neopentyl ester Formula: C17H23ClO4 MolecularWeight: 326.81512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)OCC(C)(C)C)C(=O)OCC)Cl

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)OCC(C)(C)C)C(=O)OCC)Cl

InChI

InChI=1S/C17H23ClO4/c1-6-11-8-12(16(20)22-10-17(3,4)5)13(9-14(11)18)15(19)21-7-2/h8-9H,6-7,10H2,1-5H3