(E)-5-(carboxymethylsulfanyl)-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E)-5-(carboxymethylsulfanyl)-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E)-5-(carboxymethylsulfanyl)-4-hydroxy-nonadec-6-enoic acid CAS Name: (E)-5-(carboxymethylthio)-4-hydroxy-6-nonadecenoic acid IUPAC Name: (E)-5-(carboxymethylsulfanyl)-4-hydroxynonadec-6-enoic acid Traditional Name: (E)-5-(carboxymethylthio)-4-hydroxy-nonadec-6-enoic acid Formula: C21H38O5S MolecularWeight: 402.58842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(27-17-21(25)26)18(22)15-16-20(23)24/h13-14,18-19,22H,2-12,15-17H2,1H3,(H,23,24)(H,25,26)/b14-13+