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

Systemtic Name: 3,4,5-tris(oxidanyl)-2-[2-(phenylmethyl)phenyl]sulfanyloxy-pentanal Openeye Name: 2-(2-benzylphenyl)sulfanyloxy-3,4,5-trihydroxy-pentanal CAS Name: 2-(phenylmethyl)benzenesulfenic acid (3,4,5-trihydroxy-1-oxopentan-2-yl) ester IUPAC Name: 2-(2-benzylphenyl)sulfanyloxy-3,4,5-trihydroxypentanal Traditional Name: 2-[(2-benzylphenyl)thio]oxy-3,4,5-trihydroxy-valeraldehyde Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2SOC(C=O)C(C(CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2SOC(C=O)C(C(CO)O)O

InChI

InChI=1S/C18H20O5S/c19-11-15(21)18(22)16(12-20)23-24-17-9-5-4-8-14(17)10-13-6-2-1-3-7-13/h1-9,12,15-16,18-19,21-22H,10-11H2