butyl (E)-4,4-bis(chloranyl)-2-(hydroxymethyl)but-2-enoate

Systemtic Name: butyl (E)-4,4-bis(chloranyl)-2-(hydroxymethyl)but-2-enoate Openeye Name: butyl (E)-4,4-dichloro-2-(hydroxymethyl)but-2-enoate CAS Name: (E)-4,4-dichloro-2-(hydroxymethyl)-2-butenoic acid butyl ester IUPAC Name: butyl (E)-4,4-dichloro-2-(hydroxymethyl)but-2-enoate Traditional Name: (E)-4,4-dichloro-2-methylol-but-2-enoic acid butyl ester Formula: C9H14Cl2O3 MolecularWeight: 241.11166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC(Cl)Cl)CO

Isomeric SMILES

CCCCOC(=O)/C(=C/C(Cl)Cl)/CO

InChI

InChI=1S/C9H14Cl2O3/c1-2-3-4-14-9(13)7(6-12)5-8(10)11/h5,8,12H,2-4,6H2,1H3/b7-5+