sodium 2-(7-chloranyl-6-fluoranyl-2-methyl-4-oxidanyl-2,3-dihydrochromen-4-yl)ethanoate

Systemtic Name: sodium 2-(7-chloranyl-6-fluoranyl-2-methyl-4-oxidanyl-2,3-dihydrochromen-4-yl)ethanoate Openeye Name: sodium 2-(7-chloro-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl)acetate CAS Name: sodium 2-(7-chloro-6-fluoro-4-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)acetate IUPAC Name: sodium 2-(7-chloro-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl)acetate Traditional Name: sodium 2-(7-chloro-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl)acetate Formula: C12H11ClFNaO4 MolecularWeight: 296.654513

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC(=C(C=C2O1)Cl)F)(CC(=O)[O-])O.[Na+]

Isomeric SMILES

CC1CC(C2=CC(=C(C=C2O1)Cl)F)(CC(=O)[O-])O.[Na+]

InChI

InChI=1S/C12H12ClFO4.Na/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6;/h2-3,6,17H,4-5H2,1H3,(H,15,16);/q;+1/p-1