3-methyl-1-phenyl-heptane-1,2-dione

Systemtic Name: 3-methyl-1-phenyl-heptane-1,2-dione Openeye Name: 3-methyl-1-phenyl-heptane-1,2-dione CAS Name: 3-methyl-1-phenylheptane-1,2-dione IUPAC Name: 3-methyl-1-phenylheptane-1,2-dione Traditional Name: 3-methyl-1-phenyl-heptane-1,2-dione Formula: C14H18O2 MolecularWeight: 218.29152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC(C)C(=O)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H18O2/c1-3-4-8-11(2)13(15)14(16)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3