3-methyl-3-oxidanyl-1-phenyl-heptan-1-one

Systemtic Name: 3-methyl-3-oxidanyl-1-phenyl-heptan-1-one Openeye Name: 3-hydroxy-3-methyl-1-phenyl-heptan-1-one CAS Name: 3-hydroxy-3-methyl-1-phenyl-1-heptanone IUPAC Name: 3-hydroxy-3-methyl-1-phenylheptan-1-one Traditional Name: 3-hydroxy-3-methyl-1-phenyl-heptan-1-one Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2/c1-3-4-10-14(2,16)11-13(15)12-8-6-5-7-9-12/h5-9,16H,3-4,10-11H2,1-2H3