1,2-bis(fluoranyl)-3-octoxy-benzene-6-ide; propane; titanium(3+); hydrate

Systemtic Name: 1,2-bis(fluoranyl)-3-octoxy-benzene-6-ide; propane; titanium(3+); hydrate Openeye Name: 1,2-difluoro-3-octoxy-benzene-6-ide; propane; titanium(3+); hydrate CAS Name: 1,2-difluoro-3-octoxybenzene-6-ide; propane; titanium(3+); hydrate IUPAC Name: 1,2-difluoro-3-octoxybenzene-6-ide; propane; titanium(3+); hydrate Traditional Name: 1,2-difluoro-3-octoxy-benzene-6-ide; propane; titanium(3+); hydrate Formula: C20H35F2O2Ti MolecularWeight: 393.354506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=[C-]C(=C1F)F.C[CH-]C.C[CH-]C.O.[Ti+3]

Isomeric SMILES

CCCCCCCCOC1=CC=[C-]C(=C1F)F.C[CH-]C.C[CH-]C.O.[Ti+3]

InChI

InChI=1S/C14H19F2O.2C3H7.H2O.Ti/c1-2-3-4-5-6-7-11-17-13-10-8-9-12(15)14(13)16;2*1-3-2;;/h8,10H,2-7,11H2,1H3;2*3H,1-2H3;1H2;/q3*-1;;+3