1-bromanyl-6-(trifluoromethyl)phenanthrene-9-carboxylic acid

Systemtic Name: 1-bromanyl-6-(trifluoromethyl)phenanthrene-9-carboxylic acid Openeye Name: 1-bromo-6-(trifluoromethyl)phenanthrene-9-carboxylic acid CAS Name: 1-bromo-6-(trifluoromethyl)-9-phenanthrenecarboxylic acid IUPAC Name: 1-bromo-6-(trifluoromethyl)phenanthrene-9-carboxylic acid Traditional Name: 1-bromo-6-(trifluoromethyl)phenanthrene-9-carboxylic acid Formula: C16H8BrF3O2 MolecularWeight: 369.13273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C=C(C=CC3=C(C=C2C(=C1)Br)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC2=C3C=C(C=CC3=C(C=C2C(=C1)Br)C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H8BrF3O2/c17-14-3-1-2-9-11-6-8(16(18,19)20)4-5-10(11)13(15(21)22)7-12(9)14/h1-7H,(H,21,22)