(3-oxidanylidene-2H-1$l^{3},2-benziodazol-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanylidene-2H-1$l^{3},2-benziodazol-1-yl) 4-methylbenzenesulfonate Openeye Name: (3-oxo-2H-1$l^{3},2-benziodazol-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-oxo-2H-1$l^{3},2-benziodazol-1-yl) ester IUPAC Name: (3-oxo-2H-1$l^{3},2-benziodazol-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-keto-2H-1$l^{3},2-benziodazol-1-yl) ester Formula: C14H12INO4S MolecularWeight: 417.21885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OI2C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OI2C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C14H12INO4S/c1-10-6-8-11(9-7-10)21(18,19)20-15-13-5-3-2-4-12(13)14(17)16-15/h2-9H,1H3,(H,16,17)