[(E)-4-chloranyl-3-methyl-but-2-enyl] hexadecanoate

Systemtic Name: [(E)-4-chloranyl-3-methyl-but-2-enyl] hexadecanoate Openeye Name: [(E)-4-chloro-3-methyl-but-2-enyl] hexadecanoate CAS Name: hexadecanoic acid [(E)-4-chloro-3-methylbut-2-enyl] ester IUPAC Name: [(E)-4-chloro-3-methylbut-2-enyl] hexadecanoate Traditional Name: palmitic acid [(E)-4-chloro-3-methyl-but-2-enyl] ester Formula: C21H39ClO2 MolecularWeight: 358.98616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC=C(C)CCl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/CCl

InChI

InChI=1S/C21H39ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)24-18-17-20(2)19-22/h17H,3-16,18-19H2,1-2H3/b20-17+