111872-80-1 Purity
97%
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Specification
The molecular formula of (Z,Z)-11,13-Hexadecadienyl acetate is C18H32O2.
The molecular weight of (Z,Z)-11,13-Hexadecadienyl acetate is 280.4 g/mol.
The IUPAC name of (Z,Z)-11,13-Hexadecadienyl acetate is [(11Z,13Z)-hexadeca-11,13-dienyl] acetate.
The InChI of (Z,Z)-11,13-Hexadecadienyl acetate is InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h4-7H,3,8-17H2,1-2H3/b5-4-,7-6-.
The InChIKey of (Z,Z)-11,13-Hexadecadienyl acetate is JDEZPVDDXSKIMP-RZSVFLSASA-N.
The canonical SMILES of (Z,Z)-11,13-Hexadecadienyl acetate is CCC=CC=CCCCCCCCCCCOC(=O)C.
The isomeric SMILES of (Z,Z)-11,13-Hexadecadienyl acetate is CC/C=C\C=C/CCCCCCCCCCOC(=O)C.
The CAS number of (Z,Z)-11,13-Hexadecadienyl acetate is 118744-50-6.
The XLogP3-AA value of (Z,Z)-11,13-Hexadecadienyl acetate is 6.5.
Yes, (Z,Z)-11,13-Hexadecadienyl acetate is a canonicalized compound.