4-oxidanylidene-4-[(2Z)-2-(3-oxidanylidene-2-benzofuran-1-ylidene)ethoxy]-1-(trimethylazaniumyl)butan-2-olate

Systemtic Name: 4-oxidanylidene-4-[(2Z)-2-(3-oxidanylidene-2-benzofuran-1-ylidene)ethoxy]-1-(trimethylazaniumyl)butan-2-olate Openeye Name: 4-oxo-4-[(2Z)-2-(3-oxoisobenzofuran-1-ylidene)ethoxy]-1-(trimethylammonio)butan-2-olate CAS Name: 4-oxo-4-[(2Z)-2-(3-oxo-1-isobenzofuranylidene)ethoxy]-1-(trimethylammonio)-2-butanolate IUPAC Name: 4-oxo-4-[(2Z)-2-(3-oxo-2-benzofuran-1-ylidene)ethoxy]-1-(trimethylazaniumyl)butan-2-olate Traditional Name: 4-keto-4-[(2Z)-2-phthalidylideneethoxy]-1-(trimethylammonio)butan-2-olate Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)OCC=C1C2=CC=CC=C2C(=O)O1)[O-]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)OC/C=C\1/C2=CC=CC=C2C(=O)O1)[O-]

InChI

InChI=1S/C17H21NO5/c1-18(2,3)11-12(19)10-16(20)22-9-8-15-13-6-4-5-7-14(13)17(21)23-15/h4-8,12H,9-11H2,1-3H3/b15-8-