[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-nitrobenzenesulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-nitrobenzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C16H8F3NO7S MolecularWeight: 415.29743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C16H8F3NO7S/c17-16(18,19)13-8-15(21)26-14-7-10(3-6-12(13)14)27-28(24,25)11-4-1-9(2-5-11)20(22)23/h1-8H