13-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanyltridecanoic acid

Systemtic Name: 13-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanyltridecanoic acid Openeye Name: 13-[2-(4-hydroxy-4-oxo-butoxy)phenyl]sulfanyltridecanoic acid CAS Name: 13-[[2-(4-hydroxy-4-oxobutoxy)phenyl]thio]tridecanoic acid IUPAC Name: 13-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfanyltridecanoic acid Traditional Name: 13-[[2-(4-hydroxy-4-keto-butoxy)phenyl]thio]tridecanoic acid Formula: C23H36O5S MolecularWeight: 424.59394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36O5S/c24-22(25)16-9-7-5-3-1-2-4-6-8-12-19-29-21-15-11-10-14-20(21)28-18-13-17-23(26)27/h10-11,14-15H,1-9,12-13,16-19H2,(H,24,25)(H,26,27)