sodium 5-(4-chloranyl-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Systemtic Name: sodium 5-(4-chloranyl-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate Openeye Name: sodium 5-(4-chloro-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate CAS Name: sodium 5-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate IUPAC Name: sodium 5-(4-chloro-2-methylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate Traditional Name: sodium 5-(4-chloro-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate Formula: C18H11ClF3NaO4 MolecularWeight: 406.71552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=CC=CC3=C2C=C(C(O3)C(F)(F)F)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=CC=CC3=C2C=C(C(O3)C(F)(F)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H12ClF3O4.Na/c1-9-7-10(19)5-6-13(9)25-14-3-2-4-15-11(14)8-12(17(23)24)16(26-15)18(20,21)22;/h2-8,16H,1H3,(H,23,24);/q;+1/p-1