3-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]pentane-2,4-dione

Systemtic Name: 3-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]pentane-2,4-dione Openeye Name: 3-[6-(2-chloro-4-methoxy-phenoxy)hexyl]pentane-2,4-dione CAS Name: 3-[6-(2-chloro-4-methoxyphenoxy)hexyl]pentane-2,4-dione IUPAC Name: 3-[6-(2-chloro-4-methoxyphenoxy)hexyl]pentane-2,4-dione Traditional Name: 3-[6-(2-chloro-4-methoxy-phenoxy)hexyl]pentane-2,4-dione Formula: C18H25ClO4 MolecularWeight: 340.8417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCCOC1=C(C=C(C=C1)OC)Cl)C(=O)C

Isomeric SMILES

CC(=O)C(CCCCCCOC1=C(C=C(C=C1)OC)Cl)C(=O)C

InChI

InChI=1S/C18H25ClO4/c1-13(20)16(14(2)21)8-6-4-5-7-11-23-18-10-9-15(22-3)12-17(18)19/h9-10,12,16H,4-8,11H2,1-3H3