(2R,3S,5S)-2-hexyl-5-phenylmethoxy-hexadecane-1,3-diol

Systemtic Name: (2R,3S,5S)-2-hexyl-5-phenylmethoxy-hexadecane-1,3-diol Openeye Name: (2R,3S,5S)-5-benzyloxy-2-hexyl-hexadecane-1,3-diol CAS Name: (2R,3S,5S)-2-hexyl-5-phenylmethoxyhexadecane-1,3-diol IUPAC Name: (2R,3S,5S)-2-hexyl-5-phenylmethoxyhexadecane-1,3-diol Traditional Name: (2R,3S,5S)-5-benzoxy-2-hexyl-hexadecane-1,3-diol Formula: C29H52O3 MolecularWeight: 448.72138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)CO)O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C29H52O3/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/h14-16,19-20,27-31H,3-13,17-18,21-25H2,1-2H3/t27-,28+,29+/m1/s1