2-iodosyl-3,5-bis(trifluoromethyl)naphthalene-1-carboxylic acid

Systemtic Name: 2-iodosyl-3,5-bis(trifluoromethyl)naphthalene-1-carboxylic acid Openeye Name: 2-iodosyl-3,5-bis(trifluoromethyl)naphthalene-1-carboxylic acid CAS Name: 2-iodosyl-3,5-bis(trifluoromethyl)-1-naphthalenecarboxylic acid IUPAC Name: 2-iodosyl-3,5-bis(trifluoromethyl)naphthalene-1-carboxylic acid Traditional Name: 2-iodosyl-3,5-bis(trifluoromethyl)-1-naphthoic acid Formula: C13H5F6IO3 MolecularWeight: 450.071889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C(=C1)C(F)(F)F)C(F)(F)F)I=O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C(=C1)C(F)(F)F)C(F)(F)F)I=O)C(=O)O

InChI

InChI=1S/C13H5F6IO3/c14-12(15,16)7-3-1-2-5-6(7)4-8(13(17,18)19)10(20-23)9(5)11(21)22/h1-4H,(H,21,22)