(E)-6-(2-carboxyethylsulfanyl)-5-oxidanyl-nonadec-7-enoic acid

Systemtic Name: (E)-6-(2-carboxyethylsulfanyl)-5-oxidanyl-nonadec-7-enoic acid Openeye Name: (E)-6-(2-carboxyethylsulfanyl)-5-hydroxy-nonadec-7-enoic acid CAS Name: (E)-6-(2-carboxyethylthio)-5-hydroxy-7-nonadecenoic acid IUPAC Name: (E)-6-(2-carboxyethylsulfanyl)-5-hydroxynonadec-7-enoic acid Traditional Name: (E)-6-(2-carboxyethylthio)-5-hydroxy-nonadec-7-enoic acid Formula: C22H40O5S MolecularWeight: 416.615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC(C(CCCC(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC/C=C/C(C(CCCC(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C22H40O5S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20(28-18-17-22(26)27)19(23)14-13-16-21(24)25/h12,15,19-20,23H,2-11,13-14,16-18H2,1H3,(H,24,25)(H,26,27)/b15-12+