[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-methoxy-5-nitro-benzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C17H10F3NO8S MolecularWeight: 445.32341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C17H10F3NO8S/c1-27-13-5-2-9(21(23)24)6-15(13)30(25,26)29-10-3-4-11-12(17(18,19)20)8-16(22)28-14(11)7-10/h2-8H,1H3