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4-oxidanylidene-2-(trifluoromethyl)-1H-quinazoline-6-sulfonic acid

4-oxidanylidene-2-(trifluoromethyl)-1H-quinazoline-6-sulfonic acid

Systemtic Name:4-oxidanylidene-2-(trifluoromethyl)-1H-quinazoline-6-sulfonic acid
Openeye Name:4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-sulfonic acid
CAS Name:4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-sulfonic acid
IUPAC Name:4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-sulfonic acid
Traditional Name:4-keto-2-(trifluoromethyl)-1H-quinazoline-6-sulfonic acid
Formula: C9H5F3N2O4S
MolecularWeight: 294.20721
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)C(=O)N=C(N2)C(F)(F)F


Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)C(=O)N=C(N2)C(F)(F)F


InChI

InChI=1S/C9H5F3N2O4S/c10-9(11,12)8-13-6-2-1-4(19(16,17)18)3-5(6)7(15)14-8/h1-3H,(H,13,14,15)(H,16,17,18)


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