dicesium [2-phenylmethoxy-5-(trifluoromethyl)phenyl]methanol carbonate

Systemtic Name: dicesium [2-phenylmethoxy-5-(trifluoromethyl)phenyl]methanol carbonate Openeye Name: dicesium [2-benzyloxy-5-(trifluoromethyl)phenyl]methanol carbonate CAS Name: dicesium [2-phenylmethoxy-5-(trifluoromethyl)phenyl]methanol carbonate IUPAC Name: dicesium [2-phenylmethoxy-5-(trifluoromethyl)phenyl]methanol carbonate Traditional Name: dicesium [2-benzoxy-5-(trifluoromethyl)phenyl]methanol carbonate Formula: C31H26Cs2F6O7 MolecularWeight: 890.335259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(F)(F)F)CO.C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(F)(F)F)CO.C(=O)([O-])[O-].[Cs+].[Cs+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(F)(F)F)CO.C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(F)(F)F)CO.C(=O)([O-])[O-].[Cs+].[Cs+]

InChI

InChI=1S/2C15H13F3O2.CH2O3.2Cs/c2*16-15(17,18)13-6-7-14(12(8-13)9-19)20-10-11-4-2-1-3-5-11;2-1(3)4;;/h2*1-8,19H,9-10H2;(H2,2,3,4);;/q;;;2*+1/p-2