(2S,3S)-2-methyl-3-phenylmethoxy-hexanal

Systemtic Name: (2S,3S)-2-methyl-3-phenylmethoxy-hexanal Openeye Name: (2S,3S)-3-benzyloxy-2-methyl-hexanal CAS Name: (2S,3S)-2-methyl-3-phenylmethoxyhexanal IUPAC Name: (2S,3S)-2-methyl-3-phenylmethoxyhexanal Traditional Name: (2S,3S)-3-benzoxy-2-methyl-hexanal Formula: C14H20O2 MolecularWeight: 220.3074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC[C@@H]([C@H](C)C=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H20O2/c1-3-7-14(12(2)10-15)16-11-13-8-5-4-6-9-13/h4-6,8-10,12,14H,3,7,11H2,1-2H3/t12-,14+/m1/s1