copper; methylbenzene; 1,2,3,4,5-pentakis(fluoranyl)benzene-6-ide

Systemtic Name: copper; methylbenzene; 1,2,3,4,5-pentakis(fluoranyl)benzene-6-ide Openeye Name: copper; 1,2,3,4,5-pentafluorobenzene-6-ide; toluene CAS Name: copper; 1,2,3,4,5-pentafluorobenzene-6-ide; toluene IUPAC Name: copper; 1,2,3,4,5-pentafluorobenzene-6-ide; toluene Traditional Name: copper; 1,2,3,4,5-pentafluorobenzene-6-ide; toluene Formula: C38H16CuF20-4 MolecularWeight: 916.047704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=CC=C1.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Cu]

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=CC=C1.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Cu]

InChI

InChI=1S/2C7H8.4C6F5.Cu/c2*1-7-5-3-2-4-6-7;4*7-2-1-3(8)5(10)6(11)4(2)9;/h2*2-6H,1H3;;;;;/q;;4*-1;