(E)-5-oxidanyl-6-(6-oxidanyl-6-oxidanylidene-hexyl)sulfanyl-nonadec-7-enoic acid

Systemtic Name: (E)-5-oxidanyl-6-(6-oxidanyl-6-oxidanylidene-hexyl)sulfanyl-nonadec-7-enoic acid Openeye Name: (E)-5-hydroxy-6-(6-hydroxy-6-oxo-hexyl)sulfanyl-nonadec-7-enoic acid CAS Name: (E)-5-hydroxy-6-[(6-hydroxy-6-oxohexyl)thio]-7-nonadecenoic acid IUPAC Name: (E)-5-hydroxy-6-(6-hydroxy-6-oxohexyl)sulfanylnonadec-7-enoic acid Traditional Name: (E)-5-hydroxy-6-[(6-hydroxy-6-keto-hexyl)thio]nonadec-7-enoic acid Formula: C25H46O5S MolecularWeight: 458.69474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46O5S/c1-2-3-4-5-6-7-8-9-10-11-13-18-23(22(26)17-16-20-25(29)30)31-21-15-12-14-19-24(27)28/h13,18,22-23,26H,2-12,14-17,19-21H2,1H3,(H,27,28)(H,29,30)/b18-13+