[3,5-bis(trifluoromethyl)phenyl] 2-oxidanylidenechromene-6-sulfonate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl] 2-oxidanylidenechromene-6-sulfonate Openeye Name: [3,5-bis(trifluoromethyl)phenyl] 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid [3,5-bis(trifluoromethyl)phenyl] ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl] 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid [3,5-bis(trifluoromethyl)phenyl] ester Formula: C17H8F6O5S MolecularWeight: 438.297839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=O)O2)C=C1S(=O)(=O)OC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CC(=O)O2)C=C1S(=O)(=O)OC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H8F6O5S/c18-16(19,20)10-6-11(17(21,22)23)8-12(7-10)28-29(25,26)13-2-3-14-9(5-13)1-4-15(24)27-14/h1-8H