5-(hydroxymethyl)-5-iodanyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-(hydroxymethyl)-5-iodanyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5-(hydroxymethyl)-5-iodo-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-(hydroxymethyl)-5-iodo-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-(hydroxymethyl)-5-iodocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-iodo-5-methylol-cyclohexa-1,3-diene-1-carboxylic acid Formula: C8H9IO3 MolecularWeight: 280.05973

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=CC1(CO)I)C(=O)O

Isomeric SMILES

C1C(=CC=CC1(CO)I)C(=O)O

InChI

InChI=1S/C8H9IO3/c9-8(5-10)3-1-2-6(4-8)7(11)12/h1-3,10H,4-5H2,(H,11,12)