1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid Openeye Name: adipic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid CAS Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-5-isobenzofurancarboxylic acid; hexanedioic acid IUPAC Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; hexanedioic acid Traditional Name: adipic acid; 2,2-dimethylpropane-1,3-diol; trimellitic anhydride Formula: C20H26O11 MolecularWeight: 442.41384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)CO.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(CO)CO.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C9H4O5.C6H10O4.C5H12O2/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;7-5(8)3-1-2-4-6(9)10;1-5(2,3-6)4-7/h1-3H,(H,10,11);1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3