2-iodanyl-1-phenyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-iodanyl-1-phenyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-iodo-1-phenyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 2-iodo-1-phenyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-iodo-1-phenylcyclohex-3-ene-1-carboxylic acid Traditional Name: 2-iodo-1-phenyl-cyclohex-3-ene-1-carboxylic acid Formula: C13H13IO2 MolecularWeight: 328.14559

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C=C1)I)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(C(C=C1)I)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H13IO2/c14-11-8-4-5-9-13(11,12(15)16)10-6-2-1-3-7-10/h1-4,6-8,11H,5,9H2,(H,15,16)