(2S,3S,5S)-2-hexyl-3-oxidanyl-5-phenylmethoxy-decanal

Systemtic Name: (2S,3S,5S)-2-hexyl-3-oxidanyl-5-phenylmethoxy-decanal Openeye Name: (2S,3S,5S)-5-benzyloxy-2-hexyl-3-hydroxy-decanal CAS Name: (2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxydecanal IUPAC Name: (2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxydecanal Traditional Name: (2S,3S,5S)-5-benzoxy-2-hexyl-3-hydroxy-capraldehyde Formula: C23H38O3 MolecularWeight: 362.54602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38O3/c1-3-5-7-12-15-21(18-24)23(25)17-22(16-9-6-4-2)26-19-20-13-10-8-11-14-20/h8,10-11,13-14,18,21-23,25H,3-7,9,12,15-17,19H2,1-2H3/t21-,22+,23+/m1/s1