barium(2+); furan; (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene

Systemtic Name: barium(2+); furan; (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene Openeye Name: barium(2+); furan; (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene CAS Name: barium(2+); furan; (2,3,4-triphenyl-1-cyclopenta-1,3-dienyl)benzene IUPAC Name: barium(2+); furan; (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene Traditional Name: barium(2+); furan; (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene Formula: C62H46BaO MolecularWeight: 944.35504

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[CH-]1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C1=COC=C1.[Ba+2]

Isomeric SMILES

[CH-]1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[CH-]1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C1=COC=C1.[Ba+2]

InChI

InChI=1S/2C29H21.C4H4O.Ba/c2*1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;1-2-4-5-3-1;/h2*1-21H;1-4H;/q2*-1;;+2