[(1Z)-1-chloranyl-4-methyl-penta-1,3-dienyl] benzoate

Systemtic Name: [(1Z)-1-chloranyl-4-methyl-penta-1,3-dienyl] benzoate Openeye Name: [(1Z)-1-chloro-4-methyl-penta-1,3-dienyl] benzoate CAS Name: benzoic acid [(1Z)-1-chloro-4-methylpenta-1,3-dienyl] ester IUPAC Name: [(1Z)-1-chloro-4-methylpenta-1,3-dienyl] benzoate Traditional Name: benzoic acid [(1Z)-1-chloro-4-methyl-penta-1,3-dienyl] ester Formula: C13H13ClO2 MolecularWeight: 236.69412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=C(OC(=O)C1=CC=CC=C1)Cl)C

Isomeric SMILES

CC(=C/C=C(/OC(=O)C1=CC=CC=C1)\Cl)C

InChI

InChI=1S/C13H13ClO2/c1-10(2)8-9-12(14)16-13(15)11-6-4-3-5-7-11/h3-9H,1-2H3/b12-9+