(8S,9Z,11Z,14Z,17Z)-5-methylidene-8-oxidanyl-icosa-9,11,14,17-tetraenoate

Systemtic Name: (8S,9Z,11Z,14Z,17Z)-5-methylidene-8-oxidanyl-icosa-9,11,14,17-tetraenoate Openeye Name: (8S,9Z,11Z,14Z,17Z)-8-hydroxy-5-methylene-icosa-9,11,14,17-tetraenoate CAS Name: (8S,9Z,11Z,14Z,17Z)-8-hydroxy-5-methyleneeicosa-9,11,14,17-tetraenoate IUPAC Name: (8S,9Z,11Z,14Z,17Z)-8-hydroxy-5-methylideneicosa-9,11,14,17-tetraenoate Traditional Name: (8S,9Z,11Z,14Z,17Z)-8-hydroxy-5-methylene-eicosa-9,11,14,17-tetraenoate Formula: C21H31O3- MolecularWeight: 331.46904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CC=CC(CCC(=C)CCCC(=O)[O-])O

Isomeric SMILES

CC/C=C\C/C=C\C/C=C\C=C/[C@H](CCC(=C)CCCC(=O)[O-])O

InChI

InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-15-20(22)18-17-19(2)14-13-16-21(23)24/h4-5,7-8,10-12,15,20,22H,2-3,6,9,13-14,16-18H2,1H3,(H,23,24)/p-1/b5-4-,8-7-,11-10-,15-12-/t20-/m1/s1