sodium 2-oxidanylidene-4-(trifluoromethyl)chromene-6-sulfonate

Systemtic Name: sodium 2-oxidanylidene-4-(trifluoromethyl)chromene-6-sulfonate Openeye Name: sodium 2-oxo-4-(trifluoromethyl)chromene-6-sulfonate CAS Name: sodium 2-oxo-4-(trifluoromethyl)-1-benzopyran-6-sulfonate IUPAC Name: sodium 2-oxo-4-(trifluoromethyl)chromene-6-sulfonate Traditional Name: sodium 2-keto-4-(trifluoromethyl)chromene-6-sulfonate Formula: C10H4F3NaO5S MolecularWeight: 316.18574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=CC(=O)O2)C(F)(F)F.[Na+]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=CC(=O)O2)C(F)(F)F.[Na+]

InChI

InChI=1S/C10H5F3O5S.Na/c11-10(12,13)7-4-9(14)18-8-2-1-5(3-6(7)8)19(15,16)17;/h1-4H,(H,15,16,17);/q;+1/p-1