4-[1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylhexadec-2-ynylsulfanyl]butanoic acid

Systemtic Name: 4-[1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylhexadec-2-ynylsulfanyl]butanoic acid Openeye Name: 4-[1-(4-hydroxy-4-oxo-butyl)sulfanylhexadec-2-ynylsulfanyl]butanoic acid CAS Name: 4-[1-[(4-hydroxy-4-oxobutyl)thio]hexadec-2-ynylthio]butanoic acid IUPAC Name: 4-[1-(4-hydroxy-4-oxobutyl)sulfanylhexadec-2-ynylsulfanyl]butanoic acid Traditional Name: 4-[1-[(4-hydroxy-4-keto-butyl)thio]hexadec-2-ynylthio]butyric acid Formula: C24H42O4S2 MolecularWeight: 458.71788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(SCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC#CC(SCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C24H42O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24(29-20-15-17-22(25)26)30-21-16-18-23(27)28/h24H,2-13,15-18,20-21H2,1H3,(H,25,26)(H,27,28)