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

Systemtic Name: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; propane-1,2-diol Openeye Name: 1,3-dioxoisobenzofuran-5-carboxylic acid; propane-1,2-diol CAS Name: 1,3-dioxo-5-isobenzofurancarboxylic acid; propane-1,2-diol IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid; propane-1,2-diol Traditional Name: propane-1,2-diol; trimellitic anhydride Formula: C12H12O7 MolecularWeight: 268.21948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H4O5.C3H8O2/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;1-3(5)2-4/h1-3H,(H,10,11);3-5H,2H2,1H3