ethyl 3-butyl-1-chloranyl-4-methyl-2-oxidanylidene-cyclopent-3-ene-1-carboxylate

Systemtic Name: ethyl 3-butyl-1-chloranyl-4-methyl-2-oxidanylidene-cyclopent-3-ene-1-carboxylate Openeye Name: ethyl 3-butyl-1-chloro-4-methyl-2-oxo-cyclopent-3-ene-1-carboxylate CAS Name: 3-butyl-1-chloro-4-methyl-2-oxo-1-cyclopent-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-1-chloro-4-methyl-2-oxocyclopent-3-ene-1-carboxylate Traditional Name: 3-butyl-1-chloro-2-keto-4-methyl-cyclopent-3-ene-1-carboxylic acid ethyl ester Formula: C13H19ClO3 MolecularWeight: 258.74116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(CC(C1=O)(C(=O)OCC)Cl)C

Isomeric SMILES

CCCCC1=C(CC(C1=O)(C(=O)OCC)Cl)C

InChI

InChI=1S/C13H19ClO3/c1-4-6-7-10-9(3)8-13(14,11(10)15)12(16)17-5-2/h4-8H2,1-3H3