3,4,5-tris(oxidanyl)-2-[2-(phenylcarbonyl)phenyl]sulfanyloxy-pentanal

Systemtic Name: 3,4,5-tris(oxidanyl)-2-[2-(phenylcarbonyl)phenyl]sulfanyloxy-pentanal Openeye Name: 2-(2-benzoylphenyl)sulfanyloxy-3,4,5-trihydroxy-pentanal CAS Name: 2-benzoylbenzenesulfenic acid (3,4,5-trihydroxy-1-oxopentan-2-yl) ester IUPAC Name: 2-(2-benzoylphenyl)sulfanyloxy-3,4,5-trihydroxypentanal Traditional Name: 2-[(2-benzoylphenyl)thio]oxy-3,4,5-trihydroxy-valeraldehyde Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2SOC(C=O)C(C(CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2SOC(C=O)C(C(CO)O)O

InChI

InChI=1S/C18H18O6S/c19-10-14(21)18(23)15(11-20)24-25-16-9-5-4-8-13(16)17(22)12-6-2-1-3-7-12/h1-9,11,14-15,18-19,21,23H,10H2