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6-(6-oxidanyl-6-oxidanylidene-hexyl)sulfanylicos-7-ynoic acid

6-(6-oxidanyl-6-oxidanylidene-hexyl)sulfanylicos-7-ynoic acid

Systemtic Name:6-(6-oxidanyl-6-oxidanylidene-hexyl)sulfanylicos-7-ynoic acid
Openeye Name:6-(6-hydroxy-6-oxo-hexyl)sulfanylicos-7-ynoic acid
CAS Name:6-[(6-hydroxy-6-oxohexyl)thio]-7-eicosynoic acid
IUPAC Name:6-(6-hydroxy-6-oxohexyl)sulfanylicos-7-ynoic acid
Traditional Name:6-[(6-hydroxy-6-keto-hexyl)thio]eicos-7-ynoic acid
Formula: C26H46O4S
MolecularWeight: 454.70604
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(CCCCC(=O)O)SCCCCCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCC#CC(CCCCC(=O)O)SCCCCCC(=O)O


InChI

InChI=1S/C26H46O4S/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-24(20-16-17-22-26(29)30)31-23-18-13-15-21-25(27)28/h24H,2-13,15-18,20-23H2,1H3,(H,27,28)(H,29,30)


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