5-methyl-1-phenyl-heptane-1,4-dione

Systemtic Name: 5-methyl-1-phenyl-heptane-1,4-dione Openeye Name: 5-methyl-1-phenyl-heptane-1,4-dione CAS Name: 5-methyl-1-phenylheptane-1,4-dione IUPAC Name: 5-methyl-1-phenylheptane-1,4-dione Traditional Name: 5-methyl-1-phenyl-heptane-1,4-dione Formula: C14H18O2 MolecularWeight: 218.29152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)CCC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(C)C(=O)CCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H18O2/c1-3-11(2)13(15)9-10-14(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3