2-[1-(1-hydroxyethylsulfanyl)propylsulfanyloxy]benzoic acid

Systemtic Name: 2-[1-(1-hydroxyethylsulfanyl)propylsulfanyloxy]benzoic acid Openeye Name: 2-[1-(1-hydroxyethylsulfanyl)propylsulfanyloxy]benzoic acid CAS Name: 2-[1-(1-hydroxyethylthio)propylthio]oxybenzoic acid IUPAC Name: 2-[1-(1-hydroxyethylsulfanyl)propylsulfanyloxy]benzoic acid Traditional Name: 2-[1-(1-hydroxyethylthio)propylthio]oxybenzoic acid Formula: C12H16O4S2 MolecularWeight: 288.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(SC(C)O)SOC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCC(SC(C)O)SOC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H16O4S2/c1-3-11(17-8(2)13)18-16-10-7-5-4-6-9(10)12(14)15/h4-8,11,13H,3H2,1-2H3,(H,14,15)