1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; ethyl(triphenyl)phosphanium; iodide

Systemtic Name: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; ethyl(triphenyl)phosphanium; iodide Openeye Name: 1,3-dioxoisobenzofuran-5-carboxylic acid; ethyl(triphenyl)phosphonium; iodide CAS Name: 1,3-dioxo-5-isobenzofurancarboxylic acid; ethyl(triphenyl)phosphonium; iodide IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid; ethyl(triphenyl)phosphanium; iodide Traditional Name: ethyl(triphenyl)phosphonium; trimellitic anhydride; iodide Formula: C29H24IO5P MolecularWeight: 610.376091

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Descriptors Computed from Structure

Canonical SMILES:

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.[I-]

Isomeric SMILES

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.[I-]

InChI

InChI=1S/C20H20P.C9H4O5.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;/h3-17H,2H2,1H3;1-3H,(H,10,11);1H/q+1;;/p-1