methyl 2-chloranyl-3-oxidanyl-2-propan-2-yl-pentanoate

Systemtic Name: methyl 2-chloranyl-3-oxidanyl-2-propan-2-yl-pentanoate Openeye Name: methyl 2-chloro-3-hydroxy-2-isopropyl-pentanoate CAS Name: 2-chloro-3-hydroxy-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 2-chloro-3-hydroxy-2-propan-2-ylpentanoate Traditional Name: 2-chloro-3-hydroxy-2-isopropyl-valeric acid methyl ester Formula: C9H17ClO3 MolecularWeight: 208.68248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C)C)(C(=O)OC)Cl)O

Isomeric SMILES

CCC(C(C(C)C)(C(=O)OC)Cl)O

InChI

InChI=1S/C9H17ClO3/c1-5-7(11)9(10,6(2)3)8(12)13-4/h6-7,11H,5H2,1-4H3