4-(4-chlorophenyl)-2-(3-nitrophenyl)-6,6-bis(trifluoromethyl)-1,3,5-oxathiazine

Systemtic Name: 4-(4-chlorophenyl)-2-(3-nitrophenyl)-6,6-bis(trifluoromethyl)-1,3,5-oxathiazine Openeye Name: 4-(4-chlorophenyl)-2-(3-nitrophenyl)-6,6-bis(trifluoromethyl)-1,3,5-oxathiazine CAS Name: 4-(4-chlorophenyl)-2-(3-nitrophenyl)-6,6-bis(trifluoromethyl)-1,3,5-oxathiazine IUPAC Name: 4-(4-chlorophenyl)-2-(3-nitrophenyl)-6,6-bis(trifluoromethyl)-1,3,5-oxathiazine Traditional Name: 4-(4-chlorophenyl)-2-(3-nitrophenyl)-6,6-bis(trifluoromethyl)-1,3,5-oxathiazine Formula: C17H9ClF6N2O3S MolecularWeight: 470.773379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2OC(N=C(S2)C3=CC=C(C=C3)Cl)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2OC(N=C(S2)C3=CC=C(C=C3)Cl)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H9ClF6N2O3S/c18-11-6-4-9(5-7-11)13-25-15(16(19,20)21,17(22,23)24)29-14(30-13)10-2-1-3-12(8-10)26(27)28/h1-8,14H