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

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

Systemtic Name:3-methylsulfonyl-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
Openeye Name:3-methylsulfonyl-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
CAS Name:3-methylsulfonyl-6-(trifluoromethyl)-9-phenanthrenecarboxylic acid
IUPAC Name:3-methylsulfonyl-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
Traditional Name:3-mesyl-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
Formula: C17H11F3O4S
MolecularWeight: 368.32705
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H11F3O4S/c1-25(23,24)11-4-2-9-6-15(16(21)22)12-5-3-10(17(18,19)20)7-14(12)13(9)8-11/h2-8H,1H3,(H,21,22)


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