benzene; oxolane; 1-phenylborinane; scandium(3+)

Systemtic Name: benzene; oxolane; 1-phenylborinane; scandium(3+) Openeye Name: benzene; 1-phenylborinane; scandium(3+); tetrahydrofuran CAS Name: benzene; oxolane; 1-phenylborinane; scandium(3+) IUPAC Name: benzene; oxolane; 1-phenylborinane; scandium(3+) Traditional Name: benzene; 1-phenylborinane; scandium(3+); tetrahydrofuran Formula: C27H33BOSc+ MolecularWeight: 429.31723

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Descriptors Computed from Structure

Canonical SMILES:

B1(CCCCC1)C2=CC=CC=C2.C1CCOC1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Sc+3]

Isomeric SMILES

B1(CCCCC1)C2=CC=CC=C2.C1CCOC1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Sc+3]

InChI

InChI=1S/C11H15B.2C6H5.C4H8O.Sc/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;1-2-4-5-3-1;/h1,3-4,7-8H,2,5-6,9-10H2;2*1-5H;1-4H2;/q;2*-1;;+3