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

Systemtic Name: [5-carbonochloridoyl-1,3-bis(oxidanylidene)isoindol-2-yl] 4-methylbenzenesulfonate Openeye Name: (5-chlorocarbonyl-1,3-dioxo-isoindolin-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-carbonochloridoyl-1,3-dioxo-2-isoindolyl) ester IUPAC Name: (5-carbonochloridoyl-1,3-dioxoisoindol-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-chlorocarbonyl-1,3-diketo-isoindolin-2-yl) ester Formula: C16H10ClNO6S MolecularWeight: 379.7717

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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)C(=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)Cl

InChI

InChI=1S/C16H10ClNO6S/c1-9-2-5-11(6-3-9)25(22,23)24-18-15(20)12-7-4-10(14(17)19)8-13(12)16(18)21/h2-8H,1H3