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

Systemtic Name: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; nonanedioic acid Openeye Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; nonanedioic acid CAS Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-5-isobenzofurancarboxylic acid; nonanedioic acid IUPAC Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; nonanedioic acid Traditional Name: azelaic acid; 2,2-dimethylpropane-1,3-diol; trimellitic anhydride Formula: C23H32O11 MolecularWeight: 484.49358

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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(CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C9H4O5.C9H16O4.C5H12O2/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;10-8(11)6-4-2-1-3-5-7-9(12)13;1-5(2,3-6)4-7/h1-3H,(H,10,11);1-7H2,(H,10,11)(H,12,13);6-7H,3-4H2,1-2H3