sodium [4-methyl-3-(oxidanidyloxymethyl)phenyl] 2-iodanylethanesulfonate

Systemtic Name: sodium [4-methyl-3-(oxidanidyloxymethyl)phenyl] 2-iodanylethanesulfonate Openeye Name: sodium [4-methyl-3-(oxidooxymethyl)phenyl] 2-iodoethanesulfonate CAS Name: sodium 2-iodoethanesulfonic acid [4-methyl-3-(oxidooxymethyl)phenyl] ester IUPAC Name: sodium [4-methyl-3-(oxidooxymethyl)phenyl] 2-iodoethanesulfonate Traditional Name: sodium 2-iodoethanesulfonic acid [4-methyl-3-(oxidooxymethyl)phenyl] ester Formula: C10H12INaO5S MolecularWeight: 394.15852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OS(=O)(=O)CCI)CO[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)OS(=O)(=O)CCI)CO[O-].[Na+]

InChI

InChI=1S/C10H13IO5S.Na/c1-8-2-3-10(6-9(8)7-15-12)16-17(13,14)5-4-11;/h2-3,6,12H,4-5,7H2,1H3;/q;+1/p-1