[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl] 4-methylbenzenesulfonate Openeye Name: (5-nitro-1,3-dioxo-isoindolin-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-nitro-1,3-dioxo-2-isoindolyl) ester IUPAC Name: (5-nitro-1,3-dioxoisoindol-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,3-diketo-5-nitro-isoindolin-2-yl) ester Formula: C15H10N2O7S MolecularWeight: 362.3141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O7S/c1-9-2-5-11(6-3-9)25(22,23)24-16-14(18)12-7-4-10(17(20)21)8-13(12)15(16)19/h2-8H,1H3