2-methyl-8-oxidanylidene-5-(trifluoromethyl)-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid

Systemtic Name: 2-methyl-8-oxidanylidene-5-(trifluoromethyl)-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid Openeye Name: 2-methyl-8-oxo-5-(trifluoromethyl)-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid CAS Name: 2-methyl-8-oxo-5-(trifluoromethyl)-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid IUPAC Name: 2-methyl-8-oxo-5-(trifluoromethyl)-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid Traditional Name: 8-keto-2-methyl-5-(trifluoromethyl)-1,3,4,7-tetrahydro-2,7-phenanthroline-9-sulfonic acid Formula: C14H13F3N2O4S MolecularWeight: 362.32423

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C3=C(C=C2C(F)(F)F)NC(=O)C(=C3)S(=O)(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C3=C(C=C2C(F)(F)F)NC(=O)C(=C3)S(=O)(=O)O

InChI

InChI=1S/C14H13F3N2O4S/c1-19-3-2-7-9(6-19)8-4-12(24(21,22)23)13(20)18-11(8)5-10(7)14(15,16)17/h4-5H,2-3,6H2,1H3,(H,18,20)(H,21,22,23)