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

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

Systemtic Name:3-iodanyl-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
Openeye Name:3-iodo-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
CAS Name:3-iodo-6-(trifluoromethyl)-9-phenanthrenecarboxylic acid
IUPAC Name:3-iodo-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
Traditional Name:3-iodo-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
Formula: C16H8F3IO2
MolecularWeight: 416.1332
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H8F3IO2/c17-16(18,19)9-2-4-11-13(6-9)12-7-10(20)3-1-8(12)5-14(11)15(21)22/h1-7H,(H,21,22)


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