(2S,4S)-4-(1,3-benzodioxol-5-ylmethyl)pentane-1,2,5-triol

Systemtic Name: (2S,4S)-4-(1,3-benzodioxol-5-ylmethyl)pentane-1,2,5-triol Openeye Name: (2S,4S)-4-(1,3-benzodioxol-5-ylmethyl)pentane-1,2,5-triol CAS Name: (2S,4S)-4-(1,3-benzodioxol-5-ylmethyl)pentane-1,2,5-triol IUPAC Name: (2S,4S)-4-(1,3-benzodioxol-5-ylmethyl)pentane-1,2,5-triol Traditional Name: (2S,4S)-4-piperonylpentane-1,2,5-triol Formula: C13H18O5 MolecularWeight: 254.27902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(CC(CO)O)CO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[C@@H](C[C@@H](CO)O)CO

InChI

InChI=1S/C13H18O5/c14-6-10(4-11(16)7-15)3-9-1-2-12-13(5-9)18-8-17-12/h1-2,5,10-11,14-16H,3-4,6-8H2/t10-,11-/m0/s1