6-bromanyl-3-(trifluoromethyl)phenanthrene-9-carboxylic acid

Systemtic Name: 6-bromanyl-3-(trifluoromethyl)phenanthrene-9-carboxylic acid Openeye Name: 6-bromo-3-(trifluoromethyl)phenanthrene-9-carboxylic acid CAS Name: 6-bromo-3-(trifluoromethyl)-9-phenanthrenecarboxylic acid IUPAC Name: 6-bromo-3-(trifluoromethyl)phenanthrene-9-carboxylic acid Traditional Name: 6-bromo-3-(trifluoromethyl)phenanthrene-9-carboxylic acid Formula: C16H8BrF3O2 MolecularWeight: 369.13273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C3C=C(C=CC3=C(C=C21)C(=O)O)Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC2=C3C=C(C=CC3=C(C=C21)C(=O)O)Br)C(F)(F)F

InChI

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