12-[2-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenyl]sulfanyldodecanoic acid

Systemtic Name: 12-[2-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenyl]sulfanyldodecanoic acid Openeye Name: 12-[2-(5-hydroxy-5-oxo-pentyl)sulfanylphenyl]sulfanyldodecanoic acid CAS Name: 12-[[2-[(5-hydroxy-5-oxopentyl)thio]phenyl]thio]dodecanoic acid IUPAC Name: 12-[2-(5-hydroxy-5-oxopentyl)sulfanylphenyl]sulfanyldodecanoic acid Traditional Name: 12-[[2-[(5-hydroxy-5-keto-pentyl)thio]phenyl]thio]lauric acid Formula: C23H36O4S2 MolecularWeight: 440.65954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCCCCCCCCCCC(=O)O)SCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)SCCCCCCCCCCCC(=O)O)SCCCCC(=O)O

InChI

InChI=1S/C23H36O4S2/c24-22(25)16-8-6-4-2-1-3-5-7-12-18-28-20-14-9-10-15-21(20)29-19-13-11-17-23(26)27/h9-10,14-15H,1-8,11-13,16-19H2,(H,24,25)(H,26,27)