12-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanyldodecanoic acid

Systemtic Name: 12-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanyldodecanoic acid Openeye Name: 12-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenyl]sulfanyldodecanoic acid CAS Name: 12-[[2-[(4-hydroxy-4-oxobutyl)thio]phenyl]thio]dodecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutyl)sulfanylphenyl]sulfanyldodecanoic acid Traditional Name: 12-[[2-[(4-hydroxy-4-keto-butyl)thio]phenyl]thio]lauric acid Formula: C22H34O4S2 MolecularWeight: 426.63296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O4S2/c23-21(24)15-8-6-4-2-1-3-5-7-11-17-27-19-13-9-10-14-20(19)28-18-12-16-22(25)26/h9-10,13-14H,1-8,11-12,15-18H2,(H,23,24)(H,25,26)