barium(2+); 1,3-diphenylpropylbenzene

Systemtic Name: barium(2+); 1,3-diphenylpropylbenzene Openeye Name: barium(2+); 1,3-diphenylpropylbenzene CAS Name: barium(2+); 1,3-diphenylpropylbenzene IUPAC Name: barium(2+); 1,3-diphenylpropylbenzene Traditional Name: barium(2+); 1,3-diphenylpropylbenzene Formula: C42H38Ba MolecularWeight: 680.07812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[C-](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)CC[C-](C2=CC=CC=C2)C3=CC=CC=C3.[Ba+2]

Isomeric SMILES

C1=CC=C(C=C1)CC[C-](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)CC[C-](C2=CC=CC=C2)C3=CC=CC=C3.[Ba+2]

InChI

InChI=1S/2C21H19.Ba/c2*1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h2*1-15H,16-17H2;/q2*-1;+2