6-cyano-2,2-bis(fluoranylmethyl)chromene-4-carboxylic acid

Systemtic Name: 6-cyano-2,2-bis(fluoranylmethyl)chromene-4-carboxylic acid Openeye Name: 6-cyano-2,2-bis(fluoromethyl)chromene-4-carboxylic acid CAS Name: 6-cyano-2,2-bis(fluoromethyl)-1-benzopyran-4-carboxylic acid IUPAC Name: 6-cyano-2,2-bis(fluoromethyl)chromene-4-carboxylic acid Traditional Name: 6-cyano-2,2-bis(fluoromethyl)chromene-4-carboxylic acid Formula: C13H9F2NO3 MolecularWeight: 265.212266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)C(=CC(O2)(CF)CF)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C#N)C(=CC(O2)(CF)CF)C(=O)O

InChI

InChI=1S/C13H9F2NO3/c14-6-13(7-15)4-10(12(17)18)9-3-8(5-16)1-2-11(9)19-13/h1-4H,6-7H2,(H,17,18)