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

Systemtic Name: 13-[2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylphenyl]sulfanyltridecanoic acid Openeye Name: 13-[2-(3-hydroxy-1-methyl-3-oxo-propyl)sulfanylphenyl]sulfanyltridecanoic acid CAS Name: 13-[[2-[(4-hydroxy-4-oxobutan-2-yl)thio]phenyl]thio]tridecanoic acid IUPAC Name: 13-[2-(4-hydroxy-4-oxobutan-2-yl)sulfanylphenyl]sulfanyltridecanoic acid Traditional Name: 13-[[2-[(3-hydroxy-3-keto-1-methyl-propyl)thio]phenyl]thio]tridecanoic acid Formula: C23H36O4S2 MolecularWeight: 440.65954

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=CC=CC=C1SCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC(CC(=O)O)SC1=CC=CC=C1SCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C23H36O4S2/c1-19(18-23(26)27)29-21-15-12-11-14-20(21)28-17-13-9-7-5-3-2-4-6-8-10-16-22(24)25/h11-12,14-15,19H,2-10,13,16-18H2,1H3,(H,24,25)(H,26,27)