sodium (2S)-7-tert-butyl-6-chloranyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Systemtic Name: sodium (2S)-7-tert-butyl-6-chloranyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate Openeye Name: sodium (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate CAS Name: sodium (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate IUPAC Name: sodium (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate Traditional Name: sodium (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate Formula: C15H13ClF3NaO3 MolecularWeight: 356.6999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2C=C(C(OC2=C1)C(F)(F)F)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=C2C=C([C@H](OC2=C1)C(F)(F)F)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C15H14ClF3O3.Na/c1-14(2,3)9-6-11-7(5-10(9)16)4-8(13(20)21)12(22-11)15(17,18)19;/h4-6,12H,1-3H3,(H,20,21);/q;+1/p-1/t12-;/m0./s1