[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C16H7ClF3NO7S MolecularWeight: 449.74249

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC(=O)C=C2C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C16H7ClF3NO7S/c17-12-4-2-9(6-13(12)21(23)24)29(25,26)28-8-1-3-10-11(16(18,19)20)7-15(22)27-14(10)5-8/h1-7H