1-oxidanylidene-3H-2-benzofuran-5-carboxylic acid; triethylazanium

Systemtic Name: 1-oxidanylidene-3H-2-benzofuran-5-carboxylic acid; triethylazanium Openeye Name: 1-oxo-3H-isobenzofuran-5-carboxylic acid; triethylammonium CAS Name: 1-oxo-3H-isobenzofuran-5-carboxylic acid; triethylammonium IUPAC Name: 1-oxo-3H-2-benzofuran-5-carboxylic acid; triethylazanium Traditional Name: 1-ketophthalan-5-carboxylic acid; triethylammonium Formula: C15H22NO4+ MolecularWeight: 280.33948

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1

Isomeric SMILES

CC[NH+](CC)CC.C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1

InChI

InChI=1S/C9H6O4.C6H15N/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12;1-4-7(5-2)6-3/h1-3H,4H2,(H,10,11);4-6H2,1-3H3/p+1