905274-07-9 Purity
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The molecular formula of the compound is C22H20.
The molecular weight of the compound is 284.4 g/mol.
The IUPAC name of the compound is 1-[(1E)-buta-1,3-dienyl]-3,4-bis(ethenyl)-2-[(E)-2-phenylethenyl]benzene.
The InChI of the compound is InChI=1S/C22H20/c1-4-7-13-20-16-15-19(5-2)21(6-3)22(20)17-14-18-11-9-8-10-12-18/h4-17H,1-3H2/b13-7+,17-14+.
The InChIKey of the compound is RMCJTQBFLGKYFS-OHGNNXCFSA-N.
The canonical SMILES of the compound is C=CC=CC1=C(C(=C(C=C1)C=C)C=C)C=CC2=CC=CC=C2.
The isomeric SMILES of the compound is C=C/C=C/C1=C(C(=C(C=C1)C=C)C=C)/C=C/C2=CC=CC=C2.
The XLogP3-AA value of the compound is 7.2.
The compound has 6 rotatable bonds.
Yes, the compound is canonicalized.