(E,4R)-1,1-dideuterio-4-phenylmethoxy-octadec-2-en-1-ol

Systemtic Name: (E,4R)-1,1-dideuterio-4-phenylmethoxy-octadec-2-en-1-ol Openeye Name: (E,4R)-4-benzyloxy-1,1-dideuterio-octadec-2-en-1-ol CAS Name: (E,4R)-1,1-dideuterio-4-phenylmethoxy-2-octadecen-1-ol IUPAC Name: (E,4R)-1,1-dideuterio-4-phenylmethoxyoctadec-2-en-1-ol Traditional Name: (E,4R)-4-benzoxy-1,1-dideuterio-octadec-2-en-1-ol Formula: C25H42O2 MolecularWeight: 378.597413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C=CCO)OCC1=CC=CC=C1

Isomeric SMILES

[2H][13C]([2H])(/[13CH]=C/[C@@H](CCCCCCCCCCCCCC)OCC1=CC=CC=C1)O

InChI

InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-25(21-17-22-26)27-23-24-18-14-13-15-19-24/h13-15,17-19,21,25-26H,2-12,16,20,22-23H2,1H3/b21-17+/t25-/m1/s1/i17+1,22+1D2