1,3,5-trimethylbenzene; 2,2,2-tris(fluoranyl)ethanoate; vanadium

Systemtic Name: 1,3,5-trimethylbenzene; 2,2,2-tris(fluoranyl)ethanoate; vanadium Openeye Name: mesitylene; 2,2,2-trifluoroacetate; vanadium CAS Name: 2,2,2-trifluoroacetate; 1,3,5-trimethylbenzene; vanadium IUPAC Name: 2,2,2-trifluoroacetate; 1,3,5-trimethylbenzene; vanadium Traditional Name: mesitylene; 2,2,2-trifluoroacetate; vanadium Formula: C28H24F15O10V-5 MolecularWeight: 856.401708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C)C.CC1=CC(=CC(=C1)C)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[V]

Isomeric SMILES

CC1=CC(=CC(=C1)C)C.CC1=CC(=CC(=C1)C)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[V]

InChI

InChI=1S/2C9H12.5C2HF3O2.V/c2*1-7-4-8(2)6-9(3)5-7;5*3-2(4,5)1(6)7;/h2*4-6H,1-3H3;5*(H,6,7);/p-5