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

Systemtic Name: [(E)-3-chloranyl-2-methyl-4-octanoyloxy-but-2-enyl] octanoate Openeye Name: [(E)-3-chloro-2-methyl-4-octanoyloxy-but-2-enyl] octanoate CAS Name: octanoic acid [(E)-3-chloro-2-methyl-4-(1-oxooctoxy)but-2-enyl] ester IUPAC Name: [(E)-3-chloro-2-methyl-4-octanoyloxybut-2-enyl] octanoate Traditional Name: caprylic acid [(E)-4-caprylyloxy-3-chloro-2-methyl-but-2-enyl] ester Formula: C21H37ClO4 MolecularWeight: 388.96908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(=C(COC(=O)CCCCCCC)Cl)C

Isomeric SMILES

CCCCCCCC(=O)OC/C(=C(\COC(=O)CCCCCCC)/Cl)/C

InChI

InChI=1S/C21H37ClO4/c1-4-6-8-10-12-14-20(23)25-16-18(3)19(22)17-26-21(24)15-13-11-9-7-5-2/h4-17H2,1-3H3/b19-18+