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

Systemtic Name: (4R,5S)-4,5-dimethyl-7-phenyl-heptan-3-one Openeye Name: (4R,5S)-4,5-dimethyl-7-phenyl-heptan-3-one CAS Name: (4R,5S)-4,5-dimethyl-7-phenyl-3-heptanone IUPAC Name: (4R,5S)-4,5-dimethyl-7-phenylheptan-3-one Traditional Name: (4R,5S)-4,5-dimethyl-7-phenyl-heptan-3-one Formula: C15H22O MolecularWeight: 218.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O/c1-4-15(16)13(3)12(2)10-11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3/t12-,13+/m0/s1