ethyl 2-bromanyl-2-[(E)-1-oxidanylbut-2-enyl]octanoate

Systemtic Name: ethyl 2-bromanyl-2-[(E)-1-oxidanylbut-2-enyl]octanoate Openeye Name: ethyl 2-bromo-2-[(E)-1-hydroxybut-2-enyl]octanoate CAS Name: 2-bromo-2-[(E)-1-hydroxybut-2-enyl]octanoic acid ethyl ester IUPAC Name: ethyl 2-bromo-2-[(E)-1-hydroxybut-2-enyl]octanoate Traditional Name: (E)-2-bromo-2-hexyl-3-hydroxy-hex-4-enoic acid ethyl ester Formula: C14H25BrO3 MolecularWeight: 321.2505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C=CC)O)(C(=O)OCC)Br

Isomeric SMILES

CCCCCCC(C(/C=C/C)O)(C(=O)OCC)Br

InChI

InChI=1S/C14H25BrO3/c1-4-7-8-9-11-14(15,12(16)10-5-2)13(17)18-6-3/h5,10,12,16H,4,6-9,11H2,1-3H3/b10-5+