(3-oxidanylidene-1$l^{3},2-benziodoxol-1-yl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (3-oxidanylidene-1$l^{3},2-benziodoxol-1-yl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (3-oxo-1$l^{3},2-benziodoxol-1-yl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (3-oxo-1$l^{3},2-benziodoxol-1-yl) ester IUPAC Name: (3-oxo-1$l^{3},2-benziodoxol-1-yl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (3-keto-1$l^{3},2-benziodoxol-1-yl) ester Formula: C16H15IO5S MolecularWeight: 446.25677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OI2C3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OI2C3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C16H15IO5S/c1-10-8-11(2)15(12(3)9-10)23(19,20)22-17-14-7-5-4-6-13(14)16(18)21-17/h4-9H,1-3H3