calcium 2-(phenylmethylsulfanyl)-5-(trifluoromethyl)benzoate

Systemtic Name: calcium 2-(phenylmethylsulfanyl)-5-(trifluoromethyl)benzoate Openeye Name: calcium 2-benzylsulfanyl-5-(trifluoromethyl)benzoate CAS Name: calcium 2-(phenylmethylthio)-5-(trifluoromethyl)benzoate IUPAC Name: calcium 2-benzylsulfanyl-5-(trifluoromethyl)benzoate Traditional Name: calcium 2-(benzylthio)-5-(trifluoromethyl)benzoate Formula: C15H10CaF3O2S+ MolecularWeight: 351.37691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(F)(F)F)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(F)(F)F)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C15H11F3O2S.Ca/c16-15(17,18)11-6-7-13(12(8-11)14(19)20)21-9-10-4-2-1-3-5-10;/h1-8H,9H2,(H,19,20);/q;+2/p-1