4-[8-(2-chloranyl-4-methoxy-phenoxy)octyl]heptane-3,5-dione

Systemtic Name: 4-[8-(2-chloranyl-4-methoxy-phenoxy)octyl]heptane-3,5-dione Openeye Name: 4-[8-(2-chloro-4-methoxy-phenoxy)octyl]heptane-3,5-dione CAS Name: 4-[8-(2-chloro-4-methoxyphenoxy)octyl]heptane-3,5-dione IUPAC Name: 4-[8-(2-chloro-4-methoxyphenoxy)octyl]heptane-3,5-dione Traditional Name: 4-[8-(2-chloro-4-methoxy-phenoxy)octyl]heptane-3,5-dione Formula: C22H33ClO4 MolecularWeight: 396.94802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCCCOC1=C(C=C(C=C1)OC)Cl)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCCCOC1=C(C=C(C=C1)OC)Cl)C(=O)CC

InChI

InChI=1S/C22H33ClO4/c1-4-20(24)18(21(25)5-2)12-10-8-6-7-9-11-15-27-22-14-13-17(26-3)16-19(22)23/h13-14,16,18H,4-12,15H2,1-3H3