13-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanyltridecanoic acid

Systemtic Name: 13-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanyltridecanoic acid Openeye Name: 13-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenyl]sulfanyltridecanoic acid CAS Name: 13-[[2-[(4-hydroxy-4-oxobutyl)thio]phenyl]thio]tridecanoic acid IUPAC Name: 13-[2-(4-hydroxy-4-oxobutyl)sulfanylphenyl]sulfanyltridecanoic acid Traditional Name: 13-[[2-[(4-hydroxy-4-keto-butyl)thio]phenyl]thio]tridecanoic acid Formula: C23H36O4S2 MolecularWeight: 440.65954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)SCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C23H36O4S2/c24-22(25)16-9-7-5-3-1-2-4-6-8-12-18-28-20-14-10-11-15-21(20)29-19-13-17-23(26)27/h10-11,14-15H,1-9,12-13,16-19H2,(H,24,25)(H,26,27)