phenyl 2,2-bis(chloranyl)-4,4-dimethyl-3-oxidanyl-pentanoate

Systemtic Name: phenyl 2,2-bis(chloranyl)-4,4-dimethyl-3-oxidanyl-pentanoate Openeye Name: phenyl 2,2-dichloro-3-hydroxy-4,4-dimethyl-pentanoate CAS Name: 2,2-dichloro-3-hydroxy-4,4-dimethylpentanoic acid phenyl ester IUPAC Name: phenyl 2,2-dichloro-3-hydroxy-4,4-dimethylpentanoate Traditional Name: 2,2-dichloro-3-hydroxy-4,4-dimethyl-valeric acid phenyl ester Formula: C13H16Cl2O3 MolecularWeight: 291.17034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(C(=O)OC1=CC=CC=C1)(Cl)Cl)O

Isomeric SMILES

CC(C)(C)C(C(C(=O)OC1=CC=CC=C1)(Cl)Cl)O

InChI

InChI=1S/C13H16Cl2O3/c1-12(2,3)10(16)13(14,15)11(17)18-9-7-5-4-6-8-9/h4-8,10,16H,1-3H3