chloranylbenzene; 1-(4-chlorophenyl)-3-methyl-hexane-1,5-dione

Systemtic Name: chloranylbenzene; 1-(4-chlorophenyl)-3-methyl-hexane-1,5-dione Openeye Name: chlorobenzene; 1-(4-chlorophenyl)-3-methyl-hexane-1,5-dione CAS Name: chlorobenzene; 1-(4-chlorophenyl)-3-methylhexane-1,5-dione IUPAC Name: chlorobenzene; 1-(4-chlorophenyl)-3-methylhexane-1,5-dione Traditional Name: chlorobenzene; 1-(4-chlorophenyl)-3-methyl-hexane-1,5-dione Formula: C19H20Cl2O2 MolecularWeight: 351.2669

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C)CC(=O)C1=CC=C(C=C1)Cl.C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(CC(=O)C)CC(=O)C1=CC=C(C=C1)Cl.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H15ClO2.C6H5Cl/c1-9(7-10(2)15)8-13(16)11-3-5-12(14)6-4-11;7-6-4-2-1-3-5-6/h3-6,9H,7-8H2,1-2H3;1-5H