CAS
1647-16-1 Purity
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1647-16-1 Purity
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Specification
The molecular formula is C18H16.
The molecular weight is 232.3 g/mol.
The IUPAC name is [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene.
The InChI is InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H/b2-1+,11-5+,12-6+.
The InChIKey is BOBLSBAZCVBABY-WPWUJOAOSA-N.
The canonical SMILES is C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2.
The CAS number is 1720-32-7.
The XLogP3 value is 6.1.
It has 4 rotatable bonds.