phenyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanesulfonate

Systemtic Name: phenyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanesulfonate Openeye Name: phenyl 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)ethanesulfonate CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)ethanesulfonate Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)ethanesulfonic acid phenyl ester Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7S/c19-15-13-7-6-11(18(21)22)10-14(13)16(20)17(15)8-9-26(23,24)25-12-4-2-1-3-5-12/h1-7,10H,8-9H2