(E)-5-(2-carboxyethylsulfanyl)-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E)-5-(2-carboxyethylsulfanyl)-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E)-5-(2-carboxyethylsulfanyl)-4-hydroxy-nonadec-6-enoic acid CAS Name: (E)-5-(2-carboxyethylthio)-4-hydroxy-6-nonadecenoic acid IUPAC Name: (E)-5-(2-carboxyethylsulfanyl)-4-hydroxynonadec-6-enoic acid Traditional Name: (E)-5-(2-carboxyethylthio)-4-hydroxy-nonadec-6-enoic acid Formula: C22H40O5S MolecularWeight: 416.615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C22H40O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(28-18-17-22(26)27)19(23)15-16-21(24)25/h13-14,19-20,23H,2-12,15-18H2,1H3,(H,24,25)(H,26,27)/b14-13+