6-butan-2-yl-5-iodanyl-4-nitro-6-oxidanyl-cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: 6-butan-2-yl-5-iodanyl-4-nitro-6-oxidanyl-cyclohexa-2,4-diene-1-sulfonate Openeye Name: 6-hydroxy-5-iodo-4-nitro-6-sec-butyl-cyclohexa-2,4-diene-1-sulfonate CAS Name: 6-butan-2-yl-6-hydroxy-5-iodo-4-nitro-1-cyclohexa-2,4-dienesulfonate IUPAC Name: 6-butan-2-yl-6-hydroxy-5-iodo-4-nitrocyclohexa-2,4-diene-1-sulfonate Traditional Name: 6-hydroxy-5-iodo-4-nitro-6-sec-butyl-cyclohexa-2,4-diene-1-sulfonate Formula: C10H13INO6S- MolecularWeight: 402.18279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C(C=CC(=C1I)[N+](=O)[O-])S(=O)(=O)[O-])O

Isomeric SMILES

CCC(C)C1(C(C=CC(=C1I)[N+](=O)[O-])S(=O)(=O)[O-])O

InChI

InChI=1S/C10H14INO6S/c1-3-6(2)10(13)8(19(16,17)18)5-4-7(9(10)11)12(14)15/h4-6,8,13H,3H2,1-2H3,(H,16,17,18)/p-1