3-iodosyl-5,6-bis(trifluoromethyl)naphthalene-2-carboxylic acid

Systemtic Name: 3-iodosyl-5,6-bis(trifluoromethyl)naphthalene-2-carboxylic acid Openeye Name: 3-iodosyl-5,6-bis(trifluoromethyl)naphthalene-2-carboxylic acid CAS Name: 3-iodosyl-5,6-bis(trifluoromethyl)-2-naphthalenecarboxylic acid IUPAC Name: 3-iodosyl-5,6-bis(trifluoromethyl)naphthalene-2-carboxylic acid Traditional Name: 3-iodosyl-5,6-bis(trifluoromethyl)-2-naphthoic acid Formula: C13H5F6IO3 MolecularWeight: 450.071889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC(=C(C=C21)C(=O)O)I=O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C2=CC(=C(C=C21)C(=O)O)I=O)C(F)(F)F)C(F)(F)F

InChI

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