[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C18H12F3NO7S MolecularWeight: 443.35059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12F3NO7S/c1-9-5-11(22(24)25)6-16(10(9)2)30(26,27)29-12-3-4-13-14(18(19,20)21)8-17(23)28-15(13)7-12/h3-8H,1-2H3