2-tert-butylsulfonylbenzene-1,3-dicarboxylate

Systemtic Name: 2-tert-butylsulfonylbenzene-1,3-dicarboxylate Openeye Name: 2-tert-butylsulfonylbenzene-1,3-dicarboxylate CAS Name: 2-tert-butylsulfonylbenzene-1,3-dicarboxylate IUPAC Name: 2-tert-butylsulfonylbenzene-1,3-dicarboxylate Traditional Name: 2-tert-butylsulfonylisophthalate Formula: C12H12O6S-2 MolecularWeight: 284.28508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C1=C(C=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)S(=O)(=O)C1=C(C=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14O6S/c1-12(2,3)19(17,18)9-7(10(13)14)5-4-6-8(9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)/p-2