5-[4-(2-hydroxyethylsulfanyl)phenyl]-3-oxidanylidene-pentanal

Systemtic Name: 5-[4-(2-hydroxyethylsulfanyl)phenyl]-3-oxidanylidene-pentanal Openeye Name: 5-[4-(2-hydroxyethylsulfanyl)phenyl]-3-oxo-pentanal CAS Name: 5-[4-(2-hydroxyethylthio)phenyl]-3-oxopentanal IUPAC Name: 5-[4-(2-hydroxyethylsulfanyl)phenyl]-3-oxopentanal Traditional Name: 5-[4-(2-hydroxyethylthio)phenyl]-3-keto-valeraldehyde Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)CC=O)SCCO

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)CC=O)SCCO

InChI

InChI=1S/C13H16O3S/c14-8-7-12(16)4-1-11-2-5-13(6-3-11)17-10-9-15/h2-3,5-6,8,15H,1,4,7,9-10H2