disodium 2-tert-butylbenzene-1,3-dicarboxylate

Systemtic Name: disodium 2-tert-butylbenzene-1,3-dicarboxylate Openeye Name: disodium 2-tert-butylbenzene-1,3-dicarboxylate CAS Name: disodium 2-tert-butylbenzene-1,3-dicarboxylate IUPAC Name: disodium 2-tert-butylbenzene-1,3-dicarboxylate Traditional Name: disodium 2-tert-butylisophthalate Formula: C12H12Na2O4 MolecularWeight: 266.20082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

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