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

Systemtic Name: (2S,3S)-2-methyl-3-oxidanyl-1-phenyl-hexan-1-one Openeye Name: (2S,3S)-3-hydroxy-2-methyl-1-phenyl-hexan-1-one CAS Name: (2S,3S)-3-hydroxy-2-methyl-1-phenyl-1-hexanone IUPAC Name: (2S,3S)-3-hydroxy-2-methyl-1-phenylhexan-1-one Traditional Name: (2S,3S)-3-hydroxy-2-methyl-1-phenyl-hexan-1-one Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C(=O)C1=CC=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2/c1-3-7-12(14)10(2)13(15)11-8-5-4-6-9-11/h4-6,8-10,12,14H,3,7H2,1-2H3/t10-,12-/m0/s1