(2S,3S,5R)-2-[(Z)-hex-1-enyl]-3-oxidanyl-5-phenylmethoxy-hexadecanal

Systemtic Name: (2S,3S,5R)-2-[(Z)-hex-1-enyl]-3-oxidanyl-5-phenylmethoxy-hexadecanal Openeye Name: (2S,3S,5R)-5-benzyloxy-2-[(Z)-hex-1-enyl]-3-hydroxy-hexadecanal CAS Name: (2S,3S,5R)-2-[(Z)-hex-1-enyl]-3-hydroxy-5-phenylmethoxyhexadecanal IUPAC Name: (2S,3S,5R)-2-[(Z)-hex-1-enyl]-3-hydroxy-5-phenylmethoxyhexadecanal Traditional Name: (Z,2S)-2-[(1S,3R)-3-benzoxy-1-hydroxy-tetradecyl]oct-3-enal Formula: C29H48O3 MolecularWeight: 444.68962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48O3/c1-3-5-7-9-10-11-12-13-18-22-28(32-25-26-19-15-14-16-20-26)23-29(31)27(24-30)21-17-8-6-4-2/h14-17,19-21,24,27-29,31H,3-13,18,22-23,25H2,1-2H3/b21-17-/t27-,28-,29+/m1/s1