butyl 4,4,4-tris(chloranyl)-2-methylidene-3-oxidanyl-butanoate

Systemtic Name: butyl 4,4,4-tris(chloranyl)-2-methylidene-3-oxidanyl-butanoate Openeye Name: butyl 4,4,4-trichloro-3-hydroxy-2-methylene-butanoate CAS Name: 4,4,4-trichloro-3-hydroxy-2-methylenebutanoic acid butyl ester IUPAC Name: butyl 4,4,4-trichloro-3-hydroxy-2-methylidenebutanoate Traditional Name: 2-(2,2,2-trichloro-1-hydroxy-ethyl)acrylic acid butyl ester Formula: C9H13Cl3O3 MolecularWeight: 275.55672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=C)C(C(Cl)(Cl)Cl)O

Isomeric SMILES

CCCCOC(=O)C(=C)C(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C9H13Cl3O3/c1-3-4-5-15-8(14)6(2)7(13)9(10,11)12/h7,13H,2-5H2,1H3