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

Systemtic Name: (3-oxidanylidene-1$l^{3},2-benziodoxol-1-yl) 2,4-dimethylbenzenesulfonate Openeye Name: (3-oxo-1$l^{3},2-benziodoxol-1-yl) 2,4-dimethylbenzenesulfonate CAS Name: 2,4-dimethylbenzenesulfonic acid (3-oxo-1$l^{3},2-benziodoxol-1-yl) ester IUPAC Name: (3-oxo-1$l^{3},2-benziodoxol-1-yl) 2,4-dimethylbenzenesulfonate Traditional Name: 2,4-dimethylbenzenesulfonic acid (3-keto-1$l^{3},2-benziodoxol-1-yl) ester Formula: C15H13IO5S MolecularWeight: 432.23019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13IO5S/c1-10-7-8-14(11(2)9-10)22(18,19)21-16-13-6-4-3-5-12(13)15(17)20-16/h3-9H,1-2H3