potassium 4-[3-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]-2-nitro-3-oxidanylidene-butanethioate

Systemtic Name: potassium 4-[3-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]-2-nitro-3-oxidanylidene-butanethioate Openeye Name: potassium 4-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-2-nitro-3-oxo-butanethioate CAS Name: potassium 4-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-2-nitro-3-oxobutanethioate IUPAC Name: potassium 4-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-2-nitro-3-oxobutanethioate Traditional Name: potassium 4-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-3-keto-2-nitro-thiobutyrate Formula: C17H10ClF3KNO5S MolecularWeight: 471.87651

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)CC(=O)C(C(=S)[O-])[N+](=O)[O-].[K+]

Isomeric SMILES

C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)CC(=O)C(C(=S)[O-])[N+](=O)[O-].[K+]

InChI

InChI=1S/C17H11ClF3NO5S.K/c18-12-8-10(17(19,20)21)4-5-14(12)27-11-3-1-2-9(6-11)7-13(23)15(16(24)28)22(25)26;/h1-6,8,15H,7H2,(H,24,28);/q;+1/p-1