6-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylicos-7-ynoic acid

Systemtic Name: 6-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylicos-7-ynoic acid Openeye Name: 6-(4-hydroxy-4-oxo-butyl)sulfanylicos-7-ynoic acid CAS Name: 6-[(4-hydroxy-4-oxobutyl)thio]-7-eicosynoic acid IUPAC Name: 6-(4-hydroxy-4-oxobutyl)sulfanylicos-7-ynoic acid Traditional Name: 6-[(4-hydroxy-4-keto-butyl)thio]eicos-7-ynoic acid Formula: C24H42O4S MolecularWeight: 426.65288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22(18-14-15-19-23(25)26)29-21-16-20-24(27)28/h22H,2-12,14-16,18-21H2,1H3,(H,25,26)(H,27,28)