(2S,3S,4S)-2-methyl-3-oxidanyl-4-phenylmethoxy-pentanal

Systemtic Name: (2S,3S,4S)-2-methyl-3-oxidanyl-4-phenylmethoxy-pentanal Openeye Name: (2S,3S,4S)-4-benzyloxy-3-hydroxy-2-methyl-pentanal CAS Name: (2S,3S,4S)-3-hydroxy-2-methyl-4-phenylmethoxypentanal IUPAC Name: (2S,3S,4S)-3-hydroxy-2-methyl-4-phenylmethoxypentanal Traditional Name: (2S,3S,4S)-4-benzoxy-3-hydroxy-2-methyl-valeraldehyde Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-10(8-14)13(15)11(2)16-9-12-6-4-3-5-7-12/h3-8,10-11,13,15H,9H2,1-2H3/t10-,11+,13+/m1/s1