3,4,5-tris(oxidanyl)-2-(phenylmethylsulfanyl)oxy-pentanal

Systemtic Name: 3,4,5-tris(oxidanyl)-2-(phenylmethylsulfanyl)oxy-pentanal Openeye Name: 2-benzylsulfanyloxy-3,4,5-trihydroxy-pentanal CAS Name: phenylmethanesulfenic acid (3,4,5-trihydroxy-1-oxopentan-2-yl) ester IUPAC Name: 2-benzylsulfanyloxy-3,4,5-trihydroxypentanal Traditional Name: 2-(benzylthio)oxy-3,4,5-trihydroxy-valeraldehyde Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSOC(C=O)C(C(CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CSOC(C=O)C(C(CO)O)O

InChI

InChI=1S/C12H16O5S/c13-6-10(15)12(16)11(7-14)17-18-8-9-4-2-1-3-5-9/h1-5,7,10-13,15-16H,6,8H2