5-tert-butylbenzene-1,3-dicarboxylate

Systemtic Name: 5-tert-butylbenzene-1,3-dicarboxylate Openeye Name: 5-tert-butylbenzene-1,3-dicarboxylate CAS Name: 5-tert-butylbenzene-1,3-dicarboxylate IUPAC Name: 5-tert-butylbenzene-1,3-dicarboxylate Traditional Name: 5-tert-butylisophthalate Formula: C12H12O4-2 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)/p-2