4-[[4-[(4-chlorophenyl)methyl]cyclohexyl]methyl]heptane-3,5-dione

Systemtic Name: 4-[[4-[(4-chlorophenyl)methyl]cyclohexyl]methyl]heptane-3,5-dione Openeye Name: 4-[[4-[(4-chlorophenyl)methyl]cyclohexyl]methyl]heptane-3,5-dione CAS Name: 4-[[4-[(4-chlorophenyl)methyl]cyclohexyl]methyl]heptane-3,5-dione IUPAC Name: 4-[[4-[(4-chlorophenyl)methyl]cyclohexyl]methyl]heptane-3,5-dione Traditional Name: 4-[[4-(4-chlorobenzyl)cyclohexyl]methyl]heptane-3,5-dione Formula: C21H29ClO2 MolecularWeight: 348.90676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1CCC(CC1)CC2=CC=C(C=C2)Cl)C(=O)CC

Isomeric SMILES

CCC(=O)C(CC1CCC(CC1)CC2=CC=C(C=C2)Cl)C(=O)CC

InChI

InChI=1S/C21H29ClO2/c1-3-20(23)19(21(24)4-2)14-17-7-5-15(6-8-17)13-16-9-11-18(22)12-10-16/h9-12,15,17,19H,3-8,13-14H2,1-2H3