[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C18H11F3O7S MolecularWeight: 428.33595

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C18H11F3O7S/c19-18(20,21)13-9-17(22)27-15-7-10(1-3-12(13)15)28-29(23,24)11-2-4-14-16(8-11)26-6-5-25-14/h1-4,7-9H,5-6H2