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

Systemtic Name: 4-[1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyltridec-2-ynylsulfanyl]butanoic acid Openeye Name: 4-[1-(4-hydroxy-4-oxo-butyl)sulfanyltridec-2-ynylsulfanyl]butanoic acid CAS Name: 4-[1-[(4-hydroxy-4-oxobutyl)thio]tridec-2-ynylthio]butanoic acid IUPAC Name: 4-[1-(4-hydroxy-4-oxobutyl)sulfanyltridec-2-ynylsulfanyl]butanoic acid Traditional Name: 4-[1-[(4-hydroxy-4-keto-butyl)thio]tridec-2-ynylthio]butyric acid Formula: C21H36O4S2 MolecularWeight: 416.63814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC(SCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC#CC(SCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C21H36O4S2/c1-2-3-4-5-6-7-8-9-10-11-16-21(26-17-12-14-19(22)23)27-18-13-15-20(24)25/h21H,2-10,12-15,17-18H2,1H3,(H,22,23)(H,24,25)