(3S,5S)-3-oxidanyl-5-phenylmethoxy-hexadecanal

Systemtic Name: (3S,5S)-3-oxidanyl-5-phenylmethoxy-hexadecanal Openeye Name: (3S,5S)-5-benzyloxy-3-hydroxy-hexadecanal CAS Name: (3S,5S)-3-hydroxy-5-phenylmethoxyhexadecanal IUPAC Name: (3S,5S)-3-hydroxy-5-phenylmethoxyhexadecanal Traditional Name: (3S,5S)-5-benzoxy-3-hydroxy-palmitaldehyde Formula: C23H38O3 MolecularWeight: 362.54602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(CC=O)O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-13-16-23(19-22(25)17-18-24)26-20-21-14-11-10-12-15-21/h10-12,14-15,18,22-23,25H,2-9,13,16-17,19-20H2,1H3/t22-,23+/m1/s1