phenethyl 2,5-bis(chloranyl)pentanoate

Systemtic Name: phenethyl 2,5-bis(chloranyl)pentanoate Openeye Name: phenethyl 2,5-dichloropentanoate CAS Name: 2,5-dichloropentanoic acid phenethyl ester IUPAC Name: phenethyl 2,5-dichloropentanoate Traditional Name: 2,5-dichlorovaleric acid phenethyl ester Formula: C13H16Cl2O2 MolecularWeight: 275.17094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C(CCCCl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C(CCCCl)Cl

InChI

InChI=1S/C13H16Cl2O2/c14-9-4-7-12(15)13(16)17-10-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2