4-[7-(2-chloranyl-4-methoxy-phenoxy)heptyl]heptane-3,5-dione

Systemtic Name: 4-[7-(2-chloranyl-4-methoxy-phenoxy)heptyl]heptane-3,5-dione Openeye Name: 4-[7-(2-chloro-4-methoxy-phenoxy)heptyl]heptane-3,5-dione CAS Name: 4-[7-(2-chloro-4-methoxyphenoxy)heptyl]heptane-3,5-dione IUPAC Name: 4-[7-(2-chloro-4-methoxyphenoxy)heptyl]heptane-3,5-dione Traditional Name: 4-[7-(2-chloro-4-methoxy-phenoxy)heptyl]heptane-3,5-dione Formula: C21H31ClO4 MolecularWeight: 382.92144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCCOC1=C(C=C(C=C1)OC)Cl)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCCOC1=C(C=C(C=C1)OC)Cl)C(=O)CC

InChI

InChI=1S/C21H31ClO4/c1-4-19(23)17(20(24)5-2)11-9-7-6-8-10-14-26-21-13-12-16(25-3)15-18(21)22/h12-13,15,17H,4-11,14H2,1-3H3