2,4-diethylbenzene-1,3-dicarboxylate

Systemtic Name: 2,4-diethylbenzene-1,3-dicarboxylate Openeye Name: 2,4-diethylbenzene-1,3-dicarboxylate CAS Name: 2,4-diethylbenzene-1,3-dicarboxylate IUPAC Name: 2,4-diethylbenzene-1,3-dicarboxylate Traditional Name: 2,4-diethylisophthalate Formula: C12H12O4-2 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C(=O)[O-])CC)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1)C(=O)[O-])CC)C(=O)[O-]

InChI

InChI=1S/C12H14O4/c1-3-7-5-6-9(11(13)14)8(4-2)10(7)12(15)16/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)/p-2