1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; oxiran-2-ylmethyl 7,7-dimethyloctanoate

Systemtic Name: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; oxiran-2-ylmethyl 7,7-dimethyloctanoate Openeye Name: 1,3-dioxoisobenzofuran-5-carboxylic acid; oxiran-2-ylmethyl 7,7-dimethyloctanoate CAS Name: 7,7-dimethyloctanoic acid 2-oxiranylmethyl ester; 1,3-dioxo-5-isobenzofurancarboxylic acid IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid; oxiran-2-ylmethyl 7,7-dimethyloctanoate Traditional Name: 7,7-dimethylcaprylic acid glycidyl ester; trimellitic anhydride Formula: C22H28O8 MolecularWeight: 420.45292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCCC(=O)OCC1CO1.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O

Isomeric SMILES

CC(C)(C)CCCCCC(=O)OCC1CO1.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O

InChI

InChI=1S/C13H24O3.C9H4O5/c1-13(2,3)8-6-4-5-7-12(14)16-10-11-9-15-11;10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h11H,4-10H2,1-3H3;1-3H,(H,10,11)