3-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanylpropanal

Systemtic Name: 3-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanylpropanal Openeye Name: 3-(3,5-dichloro-4-hydroxy-phenyl)sulfanylpropanal CAS Name: 3-[(3,5-dichloro-4-hydroxyphenyl)thio]propanal IUPAC Name: 3-(3,5-dichloro-4-hydroxyphenyl)sulfanylpropanal Traditional Name: 3-[(3,5-dichloro-4-hydroxy-phenyl)thio]propionaldehyde Formula: C9H8Cl2O2S MolecularWeight: 251.12962

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)O)Cl)SCCC=O

Isomeric SMILES

C1=C(C=C(C(=C1Cl)O)Cl)SCCC=O

InChI

InChI=1S/C9H8Cl2O2S/c10-7-4-6(14-3-1-2-12)5-8(11)9(7)13/h2,4-5,13H,1,3H2