5-(1,3,2-dioxathiolan-4-yl)-2-oxidanylidene-4-phenethyl-isoindol-2-ium-1,3-dione

Systemtic Name: 5-(1,3,2-dioxathiolan-4-yl)-2-oxidanylidene-4-phenethyl-isoindol-2-ium-1,3-dione Openeye Name: 5-(1,3,2-dioxathiolan-4-yl)-2-oxo-4-phenethyl-isoindolin-2-ium-1,3-dione CAS Name: 5-(1,3,2-dioxathiolan-4-yl)-2-oxo-4-phenethylisoindol-2-ium-1,3-dione IUPAC Name: 5-(1,3,2-dioxathiolan-4-yl)-2-oxo-4-phenethylisoindol-2-ium-1,3-dione Traditional Name: 5-(1,3,2-dioxathiolan-4-yl)-2-keto-4-phenethyl-isoindolin-2-ium-1,3-quinone Formula: C18H14NO5S+ MolecularWeight: 356.37246

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OSO1)C2=C(C3=C(C=C2)C(=O)[N+](=O)C3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C(OSO1)C2=C(C3=C(C=C2)C(=O)[N+](=O)C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C18H14NO5S/c20-17-14-9-8-12(15-10-23-25-24-15)13(16(14)18(21)19(17)22)7-6-11-4-2-1-3-5-11/h1-5,8-9,15H,6-7,10H2/q+1