(4S,5R)-4-methyl-5-oxidanyl-7-phenyl-heptan-3-one

Systemtic Name: (4S,5R)-4-methyl-5-oxidanyl-7-phenyl-heptan-3-one Openeye Name: (4S,5R)-5-hydroxy-4-methyl-7-phenyl-heptan-3-one CAS Name: (4S,5R)-5-hydroxy-4-methyl-7-phenyl-3-heptanone IUPAC Name: (4S,5R)-5-hydroxy-4-methyl-7-phenylheptan-3-one Traditional Name: (4S,5R)-5-hydroxy-4-methyl-7-phenyl-heptan-3-one Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(CCC1=CC=CC=C1)O

Isomeric SMILES

CCC(=O)[C@@H](C)[C@@H](CCC1=CC=CC=C1)O

InChI

InChI=1S/C14H20O2/c1-3-13(15)11(2)14(16)10-9-12-7-5-4-6-8-12/h4-8,11,14,16H,3,9-10H2,1-2H3/t11-,14-/m1/s1