(E)-1-pyridin-2-ylheptadec-7-ene-1,5,9-triol

Systemtic Name: (E)-1-pyridin-2-ylheptadec-7-ene-1,5,9-triol Openeye Name: (E)-1-(2-pyridyl)heptadec-7-ene-1,5,9-triol CAS Name: (E)-1-(2-pyridinyl)-7-heptadecene-1,5,9-triol IUPAC Name: (E)-1-pyridin-2-ylheptadec-7-ene-1,5,9-triol Traditional Name: (E)-1-(2-pyridyl)heptadec-7-ene-1,5,9-triol Formula: C22H37NO3 MolecularWeight: 363.53408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CCC(CCCC(C1=CC=CC=N1)O)O)O

Isomeric SMILES

CCCCCCCCC(/C=C/CC(CCCC(C1=CC=CC=N1)O)O)O

InChI

InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-12-19(24)13-10-14-20(25)15-11-17-22(26)21-16-8-9-18-23-21/h8-10,13,16,18-20,22,24-26H,2-7,11-12,14-15,17H2,1H3/b13-10+