1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; tetrabutylazanium; bromide

Systemtic Name: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; tetrabutylazanium; bromide Openeye Name: 1,3-dioxoisobenzofuran-5-carboxylic acid; tetrabutylammonium; bromide CAS Name: 1,3-dioxo-5-isobenzofurancarboxylic acid; tetrabutylammonium; bromide IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid; tetrabutylazanium; bromide Traditional Name: tetrabutylammonium; trimellitic anhydride; bromide Formula: C25H40BrNO5 MolecularWeight: 514.4928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.[Br-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.[Br-]

InChI

InChI=1S/C16H36N.C9H4O5.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;/h5-16H2,1-4H3;1-3H,(H,10,11);1H/q+1;;/p-1