(3S,4S)-4-methyl-3-oxidanyl-5-phenylmethoxy-pentanal

Systemtic Name: (3S,4S)-4-methyl-3-oxidanyl-5-phenylmethoxy-pentanal Openeye Name: (3S,4S)-5-benzyloxy-3-hydroxy-4-methyl-pentanal CAS Name: (3S,4S)-3-hydroxy-4-methyl-5-phenylmethoxypentanal IUPAC Name: (3S,4S)-3-hydroxy-4-methyl-5-phenylmethoxypentanal Traditional Name: (3S,4S)-5-benzoxy-3-hydroxy-4-methyl-valeraldehyde Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C(CC=O)O

Isomeric SMILES

C[C@@H](COCC1=CC=CC=C1)[C@H](CC=O)O

InChI

InChI=1S/C13H18O3/c1-11(13(15)7-8-14)9-16-10-12-5-3-2-4-6-12/h2-6,8,11,13,15H,7,9-10H2,1H3/t11-,13-/m0/s1