(E,2R,3S)-2-methyl-2-phenylmethoxy-hex-4-ene-1,3-diol

Systemtic Name: (E,2R,3S)-2-methyl-2-phenylmethoxy-hex-4-ene-1,3-diol Openeye Name: (E,2R,3S)-2-benzyloxy-2-methyl-hex-4-ene-1,3-diol CAS Name: (E,2R,3S)-2-methyl-2-phenylmethoxy-4-hexene-1,3-diol IUPAC Name: (E,2R,3S)-2-methyl-2-phenylmethoxyhex-4-ene-1,3-diol Traditional Name: (E,2R,3S)-2-benzoxy-2-methyl-hex-4-ene-1,3-diol Formula: C14H20O3 MolecularWeight: 236.3068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3/c1-3-7-13(16)14(2,11-15)17-10-12-8-5-4-6-9-12/h3-9,13,15-16H,10-11H2,1-2H3/b7-3+/t13-,14+/m0/s1