4-[2-(3-oxidanidyl-3-oxidanylidene-propyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoate

Systemtic Name: 4-[2-(3-oxidanidyl-3-oxidanylidene-propyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoate Openeye Name: 4-[2-(3-oxido-3-oxo-propyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoate CAS Name: 4-[[2-(3-oxido-3-oxopropyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoate IUPAC Name: 4-[2-(3-oxido-3-oxopropyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoate Traditional Name: 4-[1,3-diketo-2-(3-keto-3-oxido-propyl)isoindolin-5-yl]sulfonylbenzoate Formula: C18H11NO8S-2 MolecularWeight: 401.34684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

InChI

InChI=1S/C18H13NO8S/c20-15(21)7-8-19-16(22)13-6-5-12(9-14(13)17(19)23)28(26,27)11-3-1-10(2-4-11)18(24)25/h1-6,9H,7-8H2,(H,20,21)(H,24,25)/p-2