(5S,6R)-3-iodanyl-4-methyl-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: (5S,6R)-3-iodanyl-4-methyl-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: (5S,6R)-5,6-dihydroxy-3-iodo-4-methyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: (5S,6R)-5,6-dihydroxy-3-iodo-4-methyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: (5S,6R)-5,6-dihydroxy-3-iodo-4-methylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: (5S,6R)-5,6-dihydroxy-3-iodo-4-methyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C8H9IO4 MolecularWeight: 296.05913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(C1O)O)C(=O)O)I

Isomeric SMILES

CC1=C(C=C([C@H]([C@H]1O)O)C(=O)O)I

InChI

InChI=1S/C8H9IO4/c1-3-5(9)2-4(8(12)13)7(11)6(3)10/h2,6-7,10-11H,1H3,(H,12,13)/t6-,7+/m0/s1