627-97-4 Purity
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Specification
The molecular formula is C18H20O2.
The molecular weight is 268.3 g/mol.
The IUPAC name is [(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene.
The InChI is InChI=1S/C18H20O2/c1-3-9-17(10-4-1)15-19-13-7-8-14-20-16-18-11-5-2-6-12-18/h1-12H,13-16H2/b8-7-.
The InChIKey is SHOJWWNYFPQUHH-FPLPWBNLSA-N.
The Canonical SMILES is C1=CC=C(C=C1)COCC=CCOCC2=CC=CC=C2.
The Isomeric SMILES is C1=CC=C(C=C1)COC/C=C\COCC2=CC=CC=C2.
The CAS number is 68972-96-3.
The European Community (EC) Number is 620-598-2.
Yes, it is a canonicalized compound.