5-(4-butyl-3-chloranyl-phenyl)cyclohexane-1,3-dione

Systemtic Name: 5-(4-butyl-3-chloranyl-phenyl)cyclohexane-1,3-dione Openeye Name: 5-(4-butyl-3-chloro-phenyl)cyclohexane-1,3-dione CAS Name: 5-(4-butyl-3-chlorophenyl)cyclohexane-1,3-dione IUPAC Name: 5-(4-butyl-3-chlorophenyl)cyclohexane-1,3-dione Traditional Name: 5-(4-butyl-3-chloro-phenyl)cyclohexane-1,3-quinone Formula: C16H19ClO2 MolecularWeight: 278.77386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C2CC(=O)CC(=O)C2)Cl

Isomeric SMILES

CCCCC1=C(C=C(C=C1)C2CC(=O)CC(=O)C2)Cl

InChI

InChI=1S/C16H19ClO2/c1-2-3-4-11-5-6-12(9-16(11)17)13-7-14(18)10-15(19)8-13/h5-6,9,13H,2-4,7-8,10H2,1H3