4,4-bis(chloranyl)-2-ethyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4,4-bis(chloranyl)-2-ethyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4,4-dichloro-2-ethyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4,4-dichloro-2-ethyl-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4,4-dichloro-2-ethylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 4,4-dichloro-2-ethyl-cyclohexa-2,5-diene-1-carboxylate Formula: C9H9Cl2O2- MolecularWeight: 220.07256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(C=CC1C(=O)[O-])(Cl)Cl

Isomeric SMILES

CCC1=CC(C=CC1C(=O)[O-])(Cl)Cl

InChI

InChI=1S/C9H10Cl2O2/c1-2-6-5-9(10,11)4-3-7(6)8(12)13/h3-5,7H,2H2,1H3,(H,12,13)/p-1