3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; cyclohexane-1,4-dicarboxylic acid

Systemtic Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; cyclohexane-1,4-dicarboxylic acid Openeye Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; cyclohexane-1,4-dicarboxylic acid CAS Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; cyclohexane-1,4-dicarboxylic acid IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; cyclohexane-1,4-dicarboxylic acid Traditional Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone; cyclohexane-1,4-dicarboxylic acid Formula: C16H22O7 MolecularWeight: 326.34168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)OC2=O.C1CC(CCC1C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2C(C1)C(=O)OC2=O.C1CC(CCC1C(=O)O)C(=O)O

InChI

InChI=1S/C8H12O4.C8H10O3/c9-7(10)5-1-2-6(4-3-5)8(11)12;9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2,(H,9,10)(H,11,12);5-6H,1-4H2