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

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

Systemtic Name:6-butan-2-yl-5-iodanyl-4-nitro-6-oxidanyl-cyclohexa-2,4-diene-1-sulfonic acid
Openeye Name:6-hydroxy-5-iodo-4-nitro-6-sec-butyl-cyclohexa-2,4-diene-1-sulfonic acid
CAS Name:6-butan-2-yl-6-hydroxy-5-iodo-4-nitro-1-cyclohexa-2,4-dienesulfonic acid
IUPAC Name:6-butan-2-yl-6-hydroxy-5-iodo-4-nitrocyclohexa-2,4-diene-1-sulfonic acid
Traditional Name:6-hydroxy-5-iodo-4-nitro-6-sec-butyl-cyclohexa-2,4-diene-1-sulfonic acid
Formula: C10H14INO6S
MolecularWeight: 403.19073
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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)


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