(2S,3R)-2-methyl-3-oxidanyl-1-phenyl-heptan-1-one

Systemtic Name: (2S,3R)-2-methyl-3-oxidanyl-1-phenyl-heptan-1-one Openeye Name: (2S,3R)-3-hydroxy-2-methyl-1-phenyl-heptan-1-one CAS Name: (2S,3R)-3-hydroxy-2-methyl-1-phenyl-1-heptanone IUPAC Name: (2S,3R)-3-hydroxy-2-methyl-1-phenylheptan-1-one Traditional Name: (2S,3R)-3-hydroxy-2-methyl-1-phenyl-heptan-1-one Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H]([C@H](C)C(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C14H20O2/c1-3-4-10-13(15)11(2)14(16)12-8-6-5-7-9-12/h5-9,11,13,15H,3-4,10H2,1-2H3/t11-,13+/m0/s1