4-[2-(2-chloranyl-4-methoxy-phenoxy)-1-cyclohexyl-ethyl]heptane-3,5-dione

Systemtic Name: 4-[2-(2-chloranyl-4-methoxy-phenoxy)-1-cyclohexyl-ethyl]heptane-3,5-dione Openeye Name: 4-[2-(2-chloro-4-methoxy-phenoxy)-1-cyclohexyl-ethyl]heptane-3,5-dione CAS Name: 4-[2-(2-chloro-4-methoxyphenoxy)-1-cyclohexylethyl]heptane-3,5-dione IUPAC Name: 4-[2-(2-chloro-4-methoxyphenoxy)-1-cyclohexylethyl]heptane-3,5-dione Traditional Name: 4-[2-(2-chloro-4-methoxy-phenoxy)-1-cyclohexyl-ethyl]heptane-3,5-dione Formula: C22H31ClO4 MolecularWeight: 394.93214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(COC1=C(C=C(C=C1)OC)Cl)C2CCCCC2)C(=O)CC

Isomeric SMILES

CCC(=O)C(C(COC1=C(C=C(C=C1)OC)Cl)C2CCCCC2)C(=O)CC

InChI

InChI=1S/C22H31ClO4/c1-4-19(24)22(20(25)5-2)17(15-9-7-6-8-10-15)14-27-21-12-11-16(26-3)13-18(21)23/h11-13,15,17,22H,4-10,14H2,1-3H3