benzene; oxolane; scandium(3+)

Systemtic Name: benzene; oxolane; scandium(3+) Openeye Name: benzene; scandium(3+); tetrahydrofuran CAS Name: benzene; oxolane; scandium(3+) IUPAC Name: benzene; oxolane; scandium(3+) Traditional Name: benzene; scandium(3+); tetrahydrofuran Formula: C26H31O2Sc MolecularWeight: 420.47905

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC1.C1CCOC1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Sc+3]

Isomeric SMILES

C1CCOC1.C1CCOC1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Sc+3]

InChI

InChI=1S/3C6H5.2C4H8O.Sc/c3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h3*1-5H;2*1-4H2;/q3*-1;;;+3